(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119740054

IUPAC(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)18-15(20)12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14;/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1
InChIKeyQAOTWWVXXFIZHF-PFEQFJNWSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds4

About (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119740054) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119740054
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)18-15(20)12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14;/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1
InChIKeyQAOTWWVXXFIZHF-PFEQFJNWSA-N
XLogP2.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
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(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
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N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
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(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
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CID 119321690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119740054) is (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is QAOTWWVXXFIZHF-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(2)18-15(20)12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14;/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1.
What are the key properties of (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119740054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).