3-[(2S)-piperidin-2-yl]benzamide;hydrochloride

C12H17ClN2O — CID 154574752

IUPAC3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)10-5-3-4-9(8-10)11-6-1-2-7-14-11;/h3-5,8,11,14H,1-2,6-7H2,(H2,13,15);1H/t11-;/m0./s1
InChIKeyIRJJTIFKCSHSEP-MERQFXBCSA-N
MW240.73 g/mol
LogP2.02
Rot. Bonds2

About 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride

3-[(2S)-piperidin-2-yl]benzamide;hydrochloride (PubChem CID 154574752) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
PubChem CID154574752
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)10-5-3-4-9(8-10)11-6-1-2-7-14-11;/h3-5,8,11,14H,1-2,6-7H2,(H2,13,15);1H/t11-;/m0./s1
InChIKeyIRJJTIFKCSHSEP-MERQFXBCSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-[(2R)-piperidin-2-yl]phenyl] acetate
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4-[3-[(2S)-azepan-2-yl]phenyl]benzoic acid
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2-(3-chlorophenyl)azepane;hydrochloride
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(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
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acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride (CID 154574752) is 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride is Cl.NC(=O)c1cccc([C@@H]2CCCCN2)c1.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride?
The InChIKey is IRJJTIFKCSHSEP-MERQFXBCSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-12(15)10-5-3-4-9(8-10)11-6-1-2-7-14-11;/h3-5,8,11,14H,1-2,6-7H2,(H2,13,15);1H/t11-;/m0./s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride?
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 154574752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).