3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide

C16H31N3O — CID 83997104

IUPAC3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCC(C)(C)CC1CC(NCC2CCC2)CN(C(N)=O)C1
InChIInChI=1S/C16H31N3O/c1-16(2,3)8-13-7-14(11-19(10-13)15(17)20)18-9-12-5-4-6-12/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyVXTPDQCWHGFASI-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.58
Rot. Bonds4

About 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide

3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide (PubChem CID 83997104) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
PubChem CID83997104
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCC(C)(C)CC1CC(NCC2CCC2)CN(C(N)=O)C1
InChIInChI=1S/C16H31N3O/c1-16(2,3)8-13-7-14(11-19(10-13)15(17)20)18-9-12-5-4-6-12/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyVXTPDQCWHGFASI-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
3-(cyclobutylmethylamino)-5-methylpiperidine-1-carboxamide
CID 83997098
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
3-(2,2-dimethylpropyl)azetidine-1-carboxamide
CID 138656275
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
4-(cyclobutylmethylamino)piperidine-1-carboxamide
CID 43775245
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 83999887
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide (CID 83997104) is 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide is CC(C)(C)CC1CC(NCC2CCC2)CN(C(N)=O)C1.
What is the InChIKey of 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The InChIKey is VXTPDQCWHGFASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)8-13-7-14(11-19(10-13)15(17)20)18-9-12-5-4-6-12/h12-14,18H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide?
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 83997104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).