(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C21H26N4O3 — CID 95035159

IUPAC(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccccc1N1CCN(CCC[C@H]2Oc3cccnc3NC2=O)CC1
InChIInChI=1S/C21H26N4O3/c1-27-17-7-3-2-6-16(17)25-14-12-24(13-15-25)11-5-9-19-21(26)23-20-18(28-19)8-4-10-22-20/h2-4,6-8,10,19H,5,9,11-15H2,1H3,(H,22,23,26)/t19-/m1/s1
InChIKeyWOAMURYPMBZGTI-LJQANCHMSA-N
MW382.46 g/mol
LogP2.39
Rot. Bonds6

About (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 95035159) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID95035159
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccccc1N1CCN(CCC[C@H]2Oc3cccnc3NC2=O)CC1
InChIInChI=1S/C21H26N4O3/c1-27-17-7-3-2-6-16(17)25-14-12-24(13-15-25)11-5-9-19-21(26)23-20-18(28-19)8-4-10-22-20/h2-4,6-8,10,19H,5,9,11-15H2,1H3,(H,22,23,26)/t19-/m1/s1
InChIKeyWOAMURYPMBZGTI-LJQANCHMSA-N
XLogP2.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766170
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381139
2-(2-morpholin-4-ylethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766172
2-(2-chloroethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 3644169
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
CID 14304624
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811467
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10066711
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 95035159) is (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccccc1N1CCN(CCC[C@H]2Oc3cccnc3NC2=O)CC1.
What is the InChIKey of (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WOAMURYPMBZGTI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-17-7-3-2-6-16(17)25-14-12-24(13-15-25)11-5-9-19-21(26)23-20-18(28-19)8-4-10-22-20/h2-4,6-8,10,19H,5,9,11-15H2,1H3,(H,22,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 382.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 95035159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).