1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide

C18H22ClN5O2 — CID 36800335

IUPAC1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-2-1-3-14(15)11-24-16(5-8-21-24)22-17(25)12-23-9-6-13(7-10-23)18(20)26/h1-5,8,13H,6-7,9-12H2,(H2,20,26)(H,22,25)
InChIKeySTMKESKKNADUMZ-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 36800335) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID36800335
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-2-1-3-14(15)11-24-16(5-8-21-24)22-17(25)12-23-9-6-13(7-10-23)18(20)26/h1-5,8,13H,6-7,9-12H2,(H2,20,26)(H,22,25)
InChIKeySTMKESKKNADUMZ-UHFFFAOYSA-N
XLogP1.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 36800335) is 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is STMKESKKNADUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-15-4-2-1-3-14(15)11-24-16(5-8-21-24)22-17(25)12-23-9-6-13(7-10-23)18(20)26/h1-5,8,13H,6-7,9-12H2,(H2,20,26)(H,22,25).
What are the key properties of 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 36800335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).