5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide

C12H15ClN2O2 — CID 66246605

IUPAC5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
SMILESNC(=O)c1cc(Cl)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-11(10(6-8)12(14)16)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1
InChIKeyGNAPTVAIGAZYTC-VIFPVBQESA-N
MW254.72 g/mol
LogP1.57
Rot. Bonds3

About 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide

5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide (PubChem CID 66246605) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
PubChem CID66246605
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
SMILESNC(=O)c1cc(Cl)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-11(10(6-8)12(14)16)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1
InChIKeyGNAPTVAIGAZYTC-VIFPVBQESA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
2-chloro-4-pyrrolidin-3-yloxybenzamide
CID 62945417
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide
CID 67250566
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide?
The IUPAC name of 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide (CID 66246605) is 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide.
What is the SMILES notation for 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide?
The canonical SMILES for 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide is NC(=O)c1cc(Cl)ccc1O[C@H]1CCCNC1.
What is the InChIKey of 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide?
The InChIKey is GNAPTVAIGAZYTC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-3-4-11(10(6-8)12(14)16)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide?
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide has a molecular weight of 254.72 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide is sourced from PubChem (CID 66246605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).