N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119297921

IUPACN-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13;/h5-8,13,17H,2-4,9-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFHYTZDWWDXERLQ-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.19
Rot. Bonds5

About N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119297921) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119297921
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13;/h5-8,13,17H,2-4,9-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFHYTZDWWDXERLQ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119297921) is N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is FHYTZDWWDXERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13;/h5-8,13,17H,2-4,9-11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119297921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).