1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

C23H24ClN5O2 — CID 56506879

IUPAC1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2)C1
InChIInChI=1S/C23H24ClN5O2/c24-19-5-1-2-6-21(19)29-13-11-20(27-29)23(31)26-18-9-7-16(8-10-18)14-28-12-3-4-17(15-28)22(25)30/h1-2,5-11,13,17H,3-4,12,14-15H2,(H2,25,30)(H,26,31)
InChIKeyAYVCJIWTTXVYFY-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.48
Rot. Bonds6

About 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56506879) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56506879
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2)C1
InChIInChI=1S/C23H24ClN5O2/c24-19-5-1-2-6-21(19)29-13-11-20(27-29)23(31)26-18-9-7-16(8-10-18)14-28-12-3-4-17(15-28)22(25)30/h1-2,5-11,13,17H,3-4,12,14-15H2,(H2,25,30)(H,26,31)
InChIKeyAYVCJIWTTXVYFY-UHFFFAOYSA-N
XLogP3.48
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86887849
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56506879) is 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2)C1.
What is the InChIKey of 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is AYVCJIWTTXVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-19-5-1-2-6-21(19)29-13-11-20(27-29)23(31)26-18-9-7-16(8-10-18)14-28-12-3-4-17(15-28)22(25)30/h1-2,5-11,13,17H,3-4,12,14-15H2,(H2,25,30)(H,26,31).
What are the key properties of 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56506879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).