2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide

C17H27N3O — CID 71842567

IUPAC2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H27N3O/c1-4-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyNCMVJSJRWRPGKR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.12
Rot. Bonds5

About 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide

2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 71842567) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID71842567
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H27N3O/c1-4-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyNCMVJSJRWRPGKR-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
CID 122128887
1-[4-[(6-piperidin-1-yl-3-pyridinyl)methylamino]phenyl]butan-1-one
CID 68722266
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110964182
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 109389753

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide (CID 71842567) is 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide is CCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is NCMVJSJRWRPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide?
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 71842567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).