(3S)-3-N-benzylpiperidine-1,3-dicarboxamide

C14H19N3O2 — CID 9070998

IUPAC(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c15-14(19)17-8-4-7-12(10-17)13(18)16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,19)(H,16,18)/t12-/m0/s1
InChIKeyQEPDITKJBCHLSL-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.09
Rot. Bonds3

About (3S)-3-N-benzylpiperidine-1,3-dicarboxamide

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide (PubChem CID 9070998) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-3-N-benzylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
PubChem CID9070998
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c15-14(19)17-8-4-7-12(10-17)13(18)16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,19)(H,16,18)/t12-/m0/s1
InChIKeyQEPDITKJBCHLSL-LBPRGKRZSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-benzylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-benzylpiperidine-1,3-dicarboxamide (CID 9070998) is (3S)-3-N-benzylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-benzylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-benzylpiperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-benzylpiperidine-1,3-dicarboxamide?
The InChIKey is QEPDITKJBCHLSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)17-8-4-7-12(10-17)13(18)16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,19)(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-3-N-benzylpiperidine-1,3-dicarboxamide?
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-benzylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9070998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).