(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C16H23N3O — CID 155914508

IUPAC(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCc1cc(N2CCN3[C@@H](COC[C@@H]3C3CC3)C2)ccn1
InChIInChI=1S/C16H23N3O/c1-12-8-14(4-5-17-12)18-6-7-19-15(9-18)10-20-11-16(19)13-2-3-13/h4-5,8,13,15-16H,2-3,6-7,9-11H2,1H3/t15-,16-/m1/s1
InChIKeyNWPYZQZGIDXVIN-HZPDHXFCSA-N
MW273.38 g/mol
LogP1.69
Rot. Bonds2

About (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 155914508) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID155914508
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCc1cc(N2CCN3[C@@H](COC[C@@H]3C3CC3)C2)ccn1
InChIInChI=1S/C16H23N3O/c1-12-8-14(4-5-17-12)18-6-7-19-15(9-18)10-20-11-16(19)13-2-3-13/h4-5,8,13,15-16H,2-3,6-7,9-11H2,1H3/t15-,16-/m1/s1
InChIKeyNWPYZQZGIDXVIN-HZPDHXFCSA-N
XLogP1.69
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
(4S,9aR)-4-cyclopropyl-8-[(3-fluoro-2-methylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134710666
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
(4S,9aR)-4-cyclopropyl-8-[(5-ethylthiophen-2-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134711650
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225
4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
2-(fluoromethyl)-4-(2-methyl-4-pyridinyl)-1,4-oxazepane
CID 126790720
2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183780
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 133491985
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
(4S,9aR)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 154821468

Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 155914508) is (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is Cc1cc(N2CCN3[C@@H](COC[C@@H]3C3CC3)C2)ccn1.
What is the InChIKey of (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is NWPYZQZGIDXVIN-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-8-14(4-5-17-12)18-6-7-19-15(9-18)10-20-11-16(19)13-2-3-13/h4-5,8,13,15-16H,2-3,6-7,9-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 273.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-4-cyclopropyl-8-(2-methyl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 155914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).