3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide

C13H17ClN2O — CID 113341605

IUPAC3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(17)16-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRBSCQPKQQFPUAA-NSHDSACASA-N
MW252.74 g/mol
LogP2.13
Rot. Bonds2

About 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide

3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 113341605) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID113341605
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(17)16-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRBSCQPKQQFPUAA-NSHDSACASA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 91646526
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide (CID 113341605) is 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide is Cc1ccc(C(=O)N[C@H]2CCCNC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is RBSCQPKQQFPUAA-NSHDSACASA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(17)16-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 113341605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).