2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide

C15H27N3O — CID 107164042

IUPAC2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H27N3O/c1-5-15(6-2,11-16)13(19)17-12-14(3)7-9-18(4)10-8-14/h5-10,12H2,1-4H3,(H,17,19)
InChIKeyCSNHBMICTCPYRA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.16
Rot. Bonds5

About 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide

2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide (PubChem CID 107164042) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
PubChem CID107164042
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H27N3O/c1-5-15(6-2,11-16)13(19)17-12-14(3)7-9-18(4)10-8-14/h5-10,12H2,1-4H3,(H,17,19)
InChIKeyCSNHBMICTCPYRA-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
3-Methyl-6-oxopiperidine-3-carbonitrile
CID 122163268
2-[4-Methyl-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]acetonitrile
CID 132101269
(3R,4S)-4-ethyl-5,5-dimethyl-2-oxopiperidine-3-carbonitrile
CID 138970588
4-[4-(Fluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 126790760
1-butyryl-N-(cyanomethyl)-4-piperidinecarboxamide
CID 45596634
1-Acetylpiperidine-4,4-dicarbonitrile
CID 15057815
4-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide
CID 21059990
1-[4-(Methylaminomethyl)piperidin-1-yl]butan-1-one
CID 22983129
2,2-Dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983141
2-Methyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 22983142
3-Methyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 22983159

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide (CID 107164042) is 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide?
The InChIKey is CSNHBMICTCPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(6-2,11-16)13(19)17-12-14(3)7-9-18(4)10-8-14/h5-10,12H2,1-4H3,(H,17,19).
What are the key properties of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide?
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide has a molecular weight of 265.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 107164042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).