(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119712042

IUPAC(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-6-5-7-13(11-12)19-16(21)14-8-3-4-10-17-14;/h5-7,11,14,17H,2-4,8-10H2,1H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1
InChIKeyNDXBDPXECGAGPX-PFEQFJNWSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds5

About (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119712042) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119712042
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-6-5-7-13(11-12)19-16(21)14-8-3-4-10-17-14;/h5-7,11,14,17H,2-4,8-10H2,1H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1
InChIKeyNDXBDPXECGAGPX-PFEQFJNWSA-N
XLogP2.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119318163
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119712042) is (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is CCCNC(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl.
What is the InChIKey of (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NDXBDPXECGAGPX-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-6-5-7-13(11-12)19-16(21)14-8-3-4-10-17-14;/h5-7,11,14,17H,2-4,8-10H2,1H3,(H,18,20)(H,19,21);1H/t14-;/m1./s1.
What are the key properties of (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119712042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).