2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide

C17H27N3O — CID 75436340

IUPAC2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-16(17(18)21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H2,18,21)
InChIKeyGFRJFFPKRSLIPZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.37
Rot. Bonds6

About 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide

2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide (PubChem CID 75436340) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide
PubChem CID75436340
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-16(17(18)21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H2,18,21)
InChIKeyGFRJFFPKRSLIPZ-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
butanamide;1-phenylpiperidine
CID 174698826
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
ethyl 3-oxo-2-[(4-piperidin-1-ylphenyl)methyl]butanoate
CID 23009575
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide?
The IUPAC name of 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide (CID 75436340) is 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide.
What is the SMILES notation for 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide?
The canonical SMILES for 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide is CCC(C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide?
The InChIKey is GFRJFFPKRSLIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-16(17(18)21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H2,18,21).
What are the key properties of 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide?
2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 75436340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).