1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one

C24H29N3O2 — CID 166315186

IUPAC1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(C(=O)Cc3ccccc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C24H29N3O2/c1-18-16-21(9-10-22(18)27-13-5-8-23(27)28)25-20-11-14-26(15-12-20)24(29)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20,25H,5,8,11-15,17H2,1H3
InChIKeyBZISQUFRQCVGDW-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one

1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 166315186) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID166315186
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(C(=O)Cc3ccccc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C24H29N3O2/c1-18-16-21(9-10-22(18)27-13-5-8-23(27)28)25-20-11-14-26(15-12-20)24(29)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20,25H,5,8,11-15,17H2,1H3
InChIKeyBZISQUFRQCVGDW-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7686624
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CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one (CID 166315186) is 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one is Cc1cc(NC2CCN(C(=O)Cc3ccccc3)CC2)ccc1N1CCCC1=O.
What is the InChIKey of 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is BZISQUFRQCVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-16-21(9-10-22(18)27-13-5-8-23(27)28)25-20-11-14-26(15-12-20)24(29)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20,25H,5,8,11-15,17H2,1H3.
What are the key properties of 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one?
1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[1-(2-phenylacetyl)piperidin-4-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166315186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).