(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H22ClN3O2 — CID 100815989

IUPAC(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-19-8-10-20(11-9-19)17(23)15-6-7-16(22)21(15)12-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3/t15-/m1/s1
InChIKeyNDOUWWOYZRLPEB-OAHLLOKOSA-N
MW335.83 g/mol
LogP1.61
Rot. Bonds3

About (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 100815989) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID100815989
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-19-8-10-20(11-9-19)17(23)15-6-7-16(22)21(15)12-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3/t15-/m1/s1
InChIKeyNDOUWWOYZRLPEB-OAHLLOKOSA-N
XLogP1.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 95739163
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248358
2-(4-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248357
(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697321
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
(5R,6R)-6-(4-chlorophenyl)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087389
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382
1-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 91955462

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 100815989) is (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NDOUWWOYZRLPEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-19-8-10-20(11-9-19)17(23)15-6-7-16(22)21(15)12-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 335.83 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 100815989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).