(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

C17H24ClN3O2 — CID 154822925

IUPAC(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCN12
InChIInChI=1S/C17H24ClN3O2/c1-2-4-15-11-23-12-16-10-20(7-8-21(15)16)17(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,15-16H,2,4,7-8,10-12H2,1H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyKYWGSSNIYOMMTI-JKSUJKDBSA-N
MW337.85 g/mol
LogP3.06
Rot. Bonds3

About (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 154822925) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound Name(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID154822925
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCN12
InChIInChI=1S/C17H24ClN3O2/c1-2-4-15-11-23-12-16-10-20(7-8-21(15)16)17(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,15-16H,2,4,7-8,10-12H2,1H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyKYWGSSNIYOMMTI-JKSUJKDBSA-N
XLogP3.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,9aR)-N-(2-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 155493430
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346261
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993

Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (CID 154822925) is (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is CCC[C@H]1COC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCN12.
What is the InChIKey of (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is KYWGSSNIYOMMTI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-4-15-11-23-12-16-10-20(7-8-21(15)16)17(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,15-16H,2,4,7-8,10-12H2,1H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
(4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-N-(3-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 154822925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).