(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide

C18H26ClN3O — CID 124777590

IUPAC(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1Cl)N1CCN2CCCC[C@H]2C1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-12-15-6-2-3-8-17(15)19)22-11-10-21-9-5-4-7-16(21)13-22/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyUJTKJTOPQMQCJZ-HOCLYGCPSA-N
MW335.88 g/mol
LogP2.51
Rot. Bonds4

About (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide

(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 124777590) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID124777590
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1Cl)N1CCN2CCCC[C@H]2C1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-12-15-6-2-3-8-17(15)19)22-11-10-21-9-5-4-7-16(21)13-22/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyUJTKJTOPQMQCJZ-HOCLYGCPSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide with MolForge

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Related Compounds

(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 136513372
(2R)-2-[(9aR)-6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 96529788
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988265
(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988266
N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 46631275
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
1-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121551
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
(3aS,6aR)-2-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681067
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide (CID 124777590) is (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide is C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN2CCCC[C@H]2C1.
What is the InChIKey of (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is UJTKJTOPQMQCJZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14(18(23)20-12-15-6-2-3-8-17(15)19)22-11-10-21-9-5-4-7-16(21)13-22/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide?
(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 335.88 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 124777590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).