(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide

C17H21ClFN3O2 — CID 146150243

IUPAC(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H21ClFN3O2/c1-22-8-7-13(16(22)10-5-6-11(18)12(19)9-10)21-17(24)14-3-2-4-15(23)20-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)/t13-,14-,16+/m1/s1
InChIKeyMFPMHOGBSPEHCU-FMKPAKJESA-N
MW353.83 g/mol
LogP2.01
Rot. Bonds3

About (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide

(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 146150243) has the molecular formula C17H21ClFN3O2 and a molecular weight of 353.83 g/mol. Its IUPAC name is (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide
PubChem CID146150243
Molecular FormulaC17H21ClFN3O2
Molecular Weight353.83 g/mol
Exact Mass353.13
IUPAC Name(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H21ClFN3O2/c1-22-8-7-13(16(22)10-5-6-11(18)12(19)9-10)21-17(24)14-3-2-4-15(23)20-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)/t13-,14-,16+/m1/s1
InChIKeyMFPMHOGBSPEHCU-FMKPAKJESA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066314
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 124778682
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 97242613
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 124778983
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 97242249
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 97250474
N-[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146150244
(4S)-N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 129480269
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
CID 129432752
(2S,4S)-N-[2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide
CID 120641228
(2S,4S)-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide
CID 120640597
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide (CID 146150243) is (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide is CN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is MFPMHOGBSPEHCU-FMKPAKJESA-N. The full InChI is InChI=1S/C17H21ClFN3O2/c1-22-8-7-13(16(22)10-5-6-11(18)12(19)9-10)21-17(24)14-3-2-4-15(23)20-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)/t13-,14-,16+/m1/s1.
What are the key properties of (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146150243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).