N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H25N5O2 — CID 120928772

IUPACN-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H25N5O2/c26-18-17(7-14-24(18)15-16-5-2-1-3-6-16)23-19(27)20(8-11-21-12-9-20)25-13-4-10-22-25/h1-6,10,13,17,21H,7-9,11-12,14-15H2,(H,23,27)
InChIKeyZLOIEWFLEJHSLQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.88
Rot. Bonds5

About N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120928772) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120928772
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H25N5O2/c26-18-17(7-14-24(18)15-16-5-2-1-3-6-16)23-19(27)20(8-11-21-12-9-20)25-13-4-10-22-25/h1-6,10,13,17,21H,7-9,11-12,14-15H2,(H,23,27)
InChIKeyZLOIEWFLEJHSLQ-UHFFFAOYSA-N
XLogP0.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934276
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939666
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120928772) is N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZLOIEWFLEJHSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18-17(7-14-24(18)15-16-5-2-1-3-6-16)23-19(27)20(8-11-21-12-9-20)25-13-4-10-22-25/h1-6,10,13,17,21H,7-9,11-12,14-15H2,(H,23,27).
What are the key properties of N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120928772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).