N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H28ClN5O2 — CID 120928544

IUPACN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16(17-5-7-18(8-6-17)25-14-2-4-19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15-16,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H
InChIKeyJLVFMKDWCRZTHJ-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.39
Rot. Bonds5

About N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120928544) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120928544
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC NameN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16(17-5-7-18(8-6-17)25-14-2-4-19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15-16,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H
InChIKeyJLVFMKDWCRZTHJ-UHFFFAOYSA-N
XLogP2.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937149
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925872
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120928544) is N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is JLVFMKDWCRZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.ClH/c1-16(17-5-7-18(8-6-17)25-14-2-4-19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15-16,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H.
What are the key properties of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120928544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).