1-(3,3-dimethylbutyl)piperidine-4-carboxamide

C12H24N2O — CID 20792956

IUPAC1-(3,3-dimethylbutyl)piperidine-4-carboxamide
SMILESCC(C)(C)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)6-9-14-7-4-10(5-8-14)11(13)15/h10H,4-9H2,1-3H3,(H2,13,15)
InChIKeySPTLVXJKJYQIGN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About 1-(3,3-dimethylbutyl)piperidine-4-carboxamide

1-(3,3-dimethylbutyl)piperidine-4-carboxamide (PubChem CID 20792956) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)piperidine-4-carboxamide
PubChem CID20792956
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3,3-dimethylbutyl)piperidine-4-carboxamide
SMILESCC(C)(C)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)6-9-14-7-4-10(5-8-14)11(13)15/h10H,4-9H2,1-3H3,(H2,13,15)
InChIKeySPTLVXJKJYQIGN-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propylpiperidine-4-carboxamide
CID 18678413
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-(methoxymethyl)piperidine-4-carboxamide
CID 78225485
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-(2-hydrazinyl-2-oxoethyl)piperidine-4-carboxamide
CID 63568809

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutyl)piperidine-4-carboxamide (CID 20792956) is 1-(3,3-dimethylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutyl)piperidine-4-carboxamide is CC(C)(C)CCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)piperidine-4-carboxamide?
The InChIKey is SPTLVXJKJYQIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)6-9-14-7-4-10(5-8-14)11(13)15/h10H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 1-(3,3-dimethylbutyl)piperidine-4-carboxamide?
1-(3,3-dimethylbutyl)piperidine-4-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 20792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).