N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide

C48H96N8O4 — CID 159366126

IUPACN-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N(C)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C(C)C)CC1.CCNC(=O)N1CCC(C(C)C)CC1.CNC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O.C13H26N2O.C11H22N2O.C10H20N2O/c1-11(2)12-7-9-16(10-8-12)13(17)15(6)14(3,4)5;1-10(2)12-6-8-15(9-7-12)13(16)14(5)11(3)4;1-4-12-11(14)13-7-5-10(6-8-13)9(2)3;1-8(2)9-4-6-12(7-5-9)10(13)11-3/h11-12H,7-10H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3,(H,12,14);8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyLJDNTTXBJWTFPL-UHFFFAOYSA-N
MW849.35 g/mol
LogP9.80
Rot. Bonds6

About N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide

N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 159366126) has the molecular formula C48H96N8O4 and a molecular weight of 849.35 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID159366126
Molecular FormulaC48H96N8O4
Molecular Weight849.35 g/mol
Exact Mass848.76
IUPAC NameN-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N(C)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C(C)C)CC1.CCNC(=O)N1CCC(C(C)C)CC1.CNC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O.C13H26N2O.C11H22N2O.C10H20N2O/c1-11(2)12-7-9-16(10-8-12)13(17)15(6)14(3,4)5;1-10(2)12-6-8-15(9-7-12)13(16)14(5)11(3)4;1-4-12-11(14)13-7-5-10(6-8-13)9(2)3;1-8(2)9-4-6-12(7-5-9)10(13)11-3/h11-12H,7-10H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3,(H,12,14);8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyLJDNTTXBJWTFPL-UHFFFAOYSA-N
XLogP9.80
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.35
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[(2R,4S,5S)-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389331
1-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 44716393
2,2,6,6-tetramethyl-N-[6-[(2,2,6,6-tetramethylpiperidine-1-carbonyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 54363378
N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;methane;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide
CID 157546058
N-tert-butyl-4-propan-2-ylpiperidine-1-carboxamide;N-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine-1-carboxamide;N,4-di(propan-2-yl)piperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;methane;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
CID 158179539
1-[4-[(Dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
CID 159146038
N-cyclobutyl-4-propan-2-ylpiperidine-1-carboxamide;N-cyclohexyl-4-propan-2-ylpiperidine-1-carboxamide;N-cyclopentyl-4-propan-2-ylpiperidine-1-carboxamide;N-cyclopropyl-4-propan-2-ylpiperidine-1-carboxamide
CID 159362107
Bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone
CID 161182240
N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide
CID 161343392
Bis(1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea);1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
CID 161417199
1-[[(2R,4S,5S)-5-[(4-methylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389374
1-[[5-(Piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 74451014

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide (CID 159366126) is N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)N(C)C(C)(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C(C)C)CC1.CCNC(=O)N1CCC(C(C)C)CC1.CNC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LJDNTTXBJWTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C13H26N2O.C11H22N2O.C10H20N2O/c1-11(2)12-7-9-16(10-8-12)13(17)15(6)14(3,4)5;1-10(2)12-6-8-15(9-7-12)13(16)14(5)11(3)4;1-4-12-11(14)13-7-5-10(6-8-13)9(2)3;1-8(2)9-4-6-12(7-5-9)10(13)11-3/h11-12H,7-10H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,4-8H2,1-3H3,(H,12,14);8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 849.35 g/mol, XLogP of 9.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 159366126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).