4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

C23H30N4O2 — CID 71830375

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cn1
InChIInChI=1S/C23H30N4O2/c1-17(2)27-16-21(14-24-27)26-15-20(13-22(26)28)23(29)25-10-8-19(9-11-25)12-18-6-4-3-5-7-18/h3-7,14,16-17,19-20H,8-13,15H2,1-2H3
InChIKeyMLKPXRHJRNIUQH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.30
Rot. Bonds5

About 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 71830375) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID71830375
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cn1
InChIInChI=1S/C23H30N4O2/c1-17(2)27-16-21(14-24-27)26-15-20(13-22(26)28)23(29)25-10-8-19(9-11-25)12-18-6-4-3-5-7-18/h3-7,14,16-17,19-20H,8-13,15H2,1-2H3
InChIKeyMLKPXRHJRNIUQH-UHFFFAOYSA-N
XLogP3.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
methyl 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxylate
CID 168693018
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
N,N-bis(2-methylpropyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118781
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
4-(4-benzylpiperidine-1-carbonyl)-1-phenylimidazolidin-2-one
CID 134795753
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 71830375) is 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CC(C)n1cc(N2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cn1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is MLKPXRHJRNIUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(2)27-16-21(14-24-27)26-15-20(13-22(26)28)23(29)25-10-8-19(9-11-25)12-18-6-4-3-5-7-18/h3-7,14,16-17,19-20H,8-13,15H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71830375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).