(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

C17H23ClN2O — CID 44565154

IUPAC(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-19-16(13-5-7-15(18)8-6-13)11-14(17(19)21)12-20-9-3-2-4-10-20/h5-8,14,16H,2-4,9-12H2,1H3/t14-,16+/m1/s1
InChIKeyRMFWZNZXGCGUAC-ZBFHGGJFSA-N
MW306.84 g/mol
LogP3.35
Rot. Bonds3

About (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 44565154) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID44565154
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-19-16(13-5-7-15(18)8-6-13)11-14(17(19)21)12-20-9-3-2-4-10-20/h5-8,14,16H,2-4,9-12H2,1H3/t14-,16+/m1/s1
InChIKeyRMFWZNZXGCGUAC-ZBFHGGJFSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896752
3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
8-[1-(4-Chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11223982
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
(3S,5R)-3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 44295882
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-pyrrolidin-1-yl-methanone
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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (CID 44565154) is (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is RMFWZNZXGCGUAC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-19-16(13-5-7-15(18)8-6-13)11-14(17(19)21)12-20-9-3-2-4-10-20/h5-8,14,16H,2-4,9-12H2,1H3/t14-,16+/m1/s1.
What are the key properties of (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 306.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44565154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).