(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide

C13H17ClN2O2 — CID 107621709

IUPAC(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-7-10(4-5-11(12)14)16-13(17)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyQRMYRLGVEOXCEP-SECBINFHSA-N
MW268.74 g/mol
LogP2.29
Rot. Bonds3

About (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide

(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 107621709) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID107621709
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-7-10(4-5-11(12)14)16-13(17)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyQRMYRLGVEOXCEP-SECBINFHSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 119290092
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide (CID 107621709) is (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)[C@@H]2CCCNC2)ccc1Cl.
What is the InChIKey of (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is QRMYRLGVEOXCEP-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-7-10(4-5-11(12)14)16-13(17)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide?
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107621709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).