2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide

C14H25N3O — CID 115188639

IUPAC2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCC(C)C(C#N)C(=O)N(C)CC1CCCN(C)C1
InChIInChI=1S/C14H25N3O/c1-11(2)13(8-15)14(18)17(4)10-12-6-5-7-16(3)9-12/h11-13H,5-7,9-10H2,1-4H3
InChIKeyDOFAMVDRHBKGBS-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.58
Rot. Bonds4

About 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide

2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide (PubChem CID 115188639) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
PubChem CID115188639
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCC(C)C(C#N)C(=O)N(C)CC1CCCN(C)C1
InChIInChI=1S/C14H25N3O/c1-11(2)13(8-15)14(18)17(4)10-12-6-5-7-16(3)9-12/h11-13H,5-7,9-10H2,1-4H3
InChIKeyDOFAMVDRHBKGBS-UHFFFAOYSA-N
XLogP1.58
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
CID 55233234
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile
CID 55207933
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide (CID 115188639) is 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide is CC(C)C(C#N)C(=O)N(C)CC1CCCN(C)C1.
What is the InChIKey of 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The InChIKey is DOFAMVDRHBKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)13(8-15)14(18)17(4)10-12-6-5-7-16(3)9-12/h11-13H,5-7,9-10H2,1-4H3.
What are the key properties of 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide has a molecular weight of 251.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 115188639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).