N-benzyl-1-propanoylpiperidine-3-carboxamide

C16H22N2O2 — CID 47255092

IUPACN-benzyl-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)18-10-6-9-14(12-18)16(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)
InChIKeyMSKFUJKYZAOTDE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds4

About N-benzyl-1-propanoylpiperidine-3-carboxamide

N-benzyl-1-propanoylpiperidine-3-carboxamide (PubChem CID 47255092) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-propanoylpiperidine-3-carboxamide
PubChem CID47255092
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)18-10-6-9-14(12-18)16(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)
InChIKeyMSKFUJKYZAOTDE-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55856282
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-propanoylpiperidine-3-carboxamide (CID 47255092) is N-benzyl-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-propanoylpiperidine-3-carboxamide?
The InChIKey is MSKFUJKYZAOTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-15(19)18-10-6-9-14(12-18)16(20)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20).
What are the key properties of N-benzyl-1-propanoylpiperidine-3-carboxamide?
N-benzyl-1-propanoylpiperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 47255092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).