1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane

C71H143N9O5 — CID 159799361

IUPAC1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
SMILESC.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.C13H26N2O.CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;1H4
InChIKeyNJOXWLBXVXLFLZ-UHFFFAOYSA-N
MW1202.98 g/mol
LogP13.46
Rot. Bonds3

About 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane

1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane (PubChem CID 159799361) has the molecular formula C71H143N9O5 and a molecular weight of 1202.98 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane.

Molecular Properties

Compound Name1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
PubChem CID159799361
Molecular FormulaC71H143N9O5
Molecular Weight1202.98 g/mol
Exact Mass1202.12
IUPAC Name1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
SMILESC.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.C13H26N2O.CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;1H4
InChIKeyNJOXWLBXVXLFLZ-UHFFFAOYSA-N
XLogP13.46
TPSA123.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.98
LogP ≤ 513.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane with MolForge

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Related Compounds

N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 158140262
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 158649479
N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide;2-methyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 158995832
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159484961
methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 159797087
N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane
CID 159874629
methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 160715290
3-Amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 161058423
N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane
CID 163831962
4-Tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one
CID 167557433
2-methyl-N-[[1-[2-[4-[5-[4-[3-[2-[(2-methylpropanoylamino)methyl]-6-azaspiro[2.5]octan-6-yl]propyl]piperazin-1-yl]pentan-2-yl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]butanamide
CID 169586094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane?
The IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane (CID 159799361) is 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane.
What is the SMILES notation for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane?
The canonical SMILES for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane is C.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane?
The InChIKey is NJOXWLBXVXLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.C13H26N2O.CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;1H4.
What are the key properties of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane?
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane has a molecular weight of 1202.98 g/mol, XLogP of 13.46, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane is sourced from PubChem (CID 159799361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).