7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

C20H21N3O4 — CID 134226578

IUPAC7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2ncc(C(=O)N3CCC(COc4ccccc4)CC3)cc2N1
InChIInChI=1S/C20H21N3O4/c24-18-13-27-19-17(22-18)10-15(11-21-19)20(25)23-8-6-14(7-9-23)12-26-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13H2,(H,22,24)
InChIKeyWXHKOTRVCYCGEB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.34
Rot. Bonds4

About 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 134226578) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID134226578
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2ncc(C(=O)N3CCC(COc4ccccc4)CC3)cc2N1
InChIInChI=1S/C20H21N3O4/c24-18-13-27-19-17(22-18)10-15(11-21-19)20(25)23-8-6-14(7-9-23)12-26-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13H2,(H,22,24)
InChIKeyWXHKOTRVCYCGEB-UHFFFAOYSA-N
XLogP2.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 134226499
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
6-[4-[(2-chloro-6-fluorophenoxy)methyl]piperidine-1-carbonyl]-4H-pyrano[2,3-b]pyridin-3-one
CID 160934645
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
6-[4-[(S)-[4-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155162884
2-[[1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]-5-(trifluoromethyl)benzonitrile
CID 134226511
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11530965

Frequently Asked Questions

What is the IUPAC name of 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 134226578) is 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is O=C1COc2ncc(C(=O)N3CCC(COc4ccccc4)CC3)cc2N1.
What is the InChIKey of 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is WXHKOTRVCYCGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18-13-27-19-17(22-18)10-15(11-21-19)20(25)23-8-6-14(7-9-23)12-26-16-4-2-1-3-5-16/h1-5,10-11,14H,6-9,12-13H2,(H,22,24).
What are the key properties of 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 134226578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).