4-chloro-2-methoxy-N-piperidin-3-ylbenzamide

C13H17ClN2O2 — CID 63321384

IUPAC4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCCNC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-7-9(14)4-5-11(12)13(17)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyQFPJUUCMPMWUEW-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.83
Rot. Bonds3

About 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide

4-chloro-2-methoxy-N-piperidin-3-ylbenzamide (PubChem CID 63321384) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
PubChem CID63321384
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCCNC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-7-9(14)4-5-11(12)13(17)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyQFPJUUCMPMWUEW-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide (CID 63321384) is 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide is COc1cc(Cl)ccc1C(=O)NC1CCCNC1.
What is the InChIKey of 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide?
The InChIKey is QFPJUUCMPMWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-7-9(14)4-5-11(12)13(17)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide?
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63321384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).