(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C22H28ClN5O — CID 51934569

IUPAC(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H28ClN5O/c23-19-8-2-1-7-18(19)20(27-11-3-4-12-27)14-26-22(29)17-6-5-13-28(16-17)21-15-24-9-10-25-21/h1-2,7-10,15,17,20H,3-6,11-14,16H2,(H,26,29)/t17-,20+/m0/s1
InChIKeyLZLJJZFGRVTUKL-FXAWDEMLSA-N
MW413.95 g/mol
LogP3.30
Rot. Bonds6

About (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 51934569) has the molecular formula C22H28ClN5O and a molecular weight of 413.95 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID51934569
Molecular FormulaC22H28ClN5O
Molecular Weight413.95 g/mol
Exact Mass413.20
IUPAC Name(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H28ClN5O/c23-19-8-2-1-7-18(19)20(27-11-3-4-12-27)14-26-22(29)17-6-5-13-28(16-17)21-15-24-9-10-25-21/h1-2,7-10,15,17,20H,3-6,11-14,16H2,(H,26,29)/t17-,20+/m0/s1
InChIKeyLZLJJZFGRVTUKL-FXAWDEMLSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-3-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51924944
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 51934569) is (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is LZLJJZFGRVTUKL-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H28ClN5O/c23-19-8-2-1-7-18(19)20(27-11-3-4-12-27)14-26-22(29)17-6-5-13-28(16-17)21-15-24-9-10-25-21/h1-2,7-10,15,17,20H,3-6,11-14,16H2,(H,26,29)/t17-,20+/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51934569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).