(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one

C24H32N4O2 — CID 42479662

IUPAC(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3nccn3C)CCC(=O)N2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-6-8-19(9-7-18)17-24(12-10-21(29)26-24)13-11-22(30)28-15-4-3-5-20(28)23-25-14-16-27(23)2/h6-9,14,16,20H,3-5,10-13,15,17H2,1-2H3,(H,26,29)/t20-,24-/m1/s1
InChIKeyDWIZOBKIHPZGFP-HYBUGGRVSA-N
MW408.55 g/mol
LogP3.45
Rot. Bonds6

About (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one

(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 42479662) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID42479662
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3nccn3C)CCC(=O)N2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-6-8-19(9-7-18)17-24(12-10-21(29)26-24)13-11-22(30)28-15-4-3-5-20(28)23-25-14-16-27(23)2/h6-9,14,16,20H,3-5,10-13,15,17H2,1-2H3,(H,26,29)/t20-,24-/m1/s1
InChIKeyDWIZOBKIHPZGFP-HYBUGGRVSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[3-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 26354887
(5S)-5-[3-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 26354891
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45235007
3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 126467480
(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 42407319
1-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42197638
5-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45226329
5-(1,3-benzodioxol-5-ylmethyl)-5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45219121
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide
CID 42170235
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
CID 126463204
3-(5-chlorothiophen-2-yl)-1-[(2R)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 97254776
(5R)-5-[3-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 98336017

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 42479662) is (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(C[C@]2(CCC(=O)N3CCCC[C@@H]3c3nccn3C)CCC(=O)N2)cc1.
What is the InChIKey of (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DWIZOBKIHPZGFP-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-6-8-19(9-7-18)17-24(12-10-21(29)26-24)13-11-22(30)28-15-4-3-5-20(28)23-25-14-16-27(23)2/h6-9,14,16,20H,3-5,10-13,15,17H2,1-2H3,(H,26,29)/t20-,24-/m1/s1.
What are the key properties of (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 42479662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).