1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C21H28N4O — CID 70738643

IUPAC1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H28N4O/c26-21-5-3-13-23(21)14-10-19-4-1-2-12-24(19)16-18-6-8-20(9-7-18)25-15-11-22-17-25/h6-9,11,15,17,19H,1-5,10,12-14,16H2
InChIKeyFIPYJSGPYLPGKP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 70738643) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID70738643
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H28N4O/c26-21-5-3-13-23(21)14-10-19-4-1-2-12-24(19)16-18-6-8-20(9-7-18)25-15-11-22-17-25/h6-9,11,15,17,19H,1-5,10,12-14,16H2
InChIKeyFIPYJSGPYLPGKP-UHFFFAOYSA-N
XLogP3.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 95712896
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 56908889
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
1-[2-[(2S)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124752546
1-[2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 91833990
1-[4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]phenyl]imidazole
CID 86953433
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
2-methyl-5-[[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95719565
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 70738643) is 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCCCN1Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FIPYJSGPYLPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21-5-3-13-23(21)14-10-19-4-1-2-12-24(19)16-18-6-8-20(9-7-18)25-15-11-22-17-25/h6-9,11,15,17,19H,1-5,10,12-14,16H2.
What are the key properties of 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70738643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).