4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

C20H39N3O — CID 176630030

IUPAC4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3
InChIKeyBZUCXUQEJIPNRI-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.06
Rot. Bonds1

About 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (PubChem CID 176630030) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
PubChem CID176630030
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3
InChIKeyBZUCXUQEJIPNRI-UHFFFAOYSA-N
XLogP4.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 160970317
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
N-cyclopropyl-N,3-dimethylpyrrolidine-1-carboxamide
CID 131154116
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
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 118531599
N-methyl-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 115578678
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
CID 107438598
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
CID 163870468

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (CID 176630030) is 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The InChIKey is BZUCXUQEJIPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3.
What are the key properties of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide has a molecular weight of 337.55 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176630030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).