N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C18H22ClN5O2 — CID 118781188

IUPACN-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(CCn3cccn3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN5O2/c19-16-12-14(2-3-15(16)17(20)25)22-18(26)23-9-4-13(5-10-23)6-11-24-8-1-7-21-24/h1-3,7-8,12-13H,4-6,9-11H2,(H2,20,25)(H,22,26)
InChIKeyUYFRPHBEXZCPMN-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.97
Rot. Bonds5

About N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 118781188) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID118781188
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(CCn3cccn3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN5O2/c19-16-12-14(2-3-15(16)17(20)25)22-18(26)23-9-4-13(5-10-23)6-11-24-8-1-7-21-24/h1-3,7-8,12-13H,4-6,9-11H2,(H2,20,25)(H,22,26)
InChIKeyUYFRPHBEXZCPMN-UHFFFAOYSA-N
XLogP2.97
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 118774921
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 135099789
4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 46911300
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 118781188) is N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is NC(=O)c1ccc(NC(=O)N2CCC(CCn3cccn3)CC2)cc1Cl.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is UYFRPHBEXZCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-16-12-14(2-3-15(16)17(20)25)22-18(26)23-9-4-13(5-10-23)6-11-24-8-1-7-21-24/h1-3,7-8,12-13H,4-6,9-11H2,(H2,20,25)(H,22,26).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118781188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).