(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide

C13H16ClN3O2 — CID 7366630

IUPAC(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-7-3-4-9(8-17)12(15)18/h1-2,5-6,9H,3-4,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1
InChIKeyCCBYJKRCJOBINK-VIFPVBQESA-N
MW281.74 g/mol
LogP2.07
Rot. Bonds2

About (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 7366630) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
PubChem CID7366630
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-7-3-4-9(8-17)12(15)18/h1-2,5-6,9H,3-4,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1
InChIKeyCCBYJKRCJOBINK-VIFPVBQESA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide (CID 7366630) is (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide is NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is CCBYJKRCJOBINK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-7-3-4-9(8-17)12(15)18/h1-2,5-6,9H,3-4,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1.
What are the key properties of (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 281.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7366630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).