1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile

C15H15N3O3 — CID 49063777

IUPAC1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1
InChIInChI=1S/C15H15N3O3/c16-8-10-3-5-18(6-4-10)15(20)11-1-2-12-13(7-11)21-9-14(19)17-12/h1-2,7,10H,3-6,9H2,(H,17,19)
InChIKeySINVRMWPKSMPGO-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.39
Rot. Bonds1

About 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile

1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile (PubChem CID 49063777) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
PubChem CID49063777
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1
InChIInChI=1S/C15H15N3O3/c16-8-10-3-5-18(6-4-10)15(20)11-1-2-12-13(7-11)21-9-14(19)17-12/h1-2,7,10H,3-6,9H2,(H,17,19)
InChIKeySINVRMWPKSMPGO-UHFFFAOYSA-N
XLogP1.39
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120815250
7-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 115966211
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 30496869
3-fluoro-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259391
4-[[1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 134226499
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404
7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one
CID 42470661
7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 26419995
7-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 134003108
7-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 125171816
7-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]-4H-1,4-benzoxazin-3-one;formic acid
CID 172912347

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile (CID 49063777) is 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1.
What is the InChIKey of 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile?
The InChIKey is SINVRMWPKSMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-8-10-3-5-18(6-4-10)15(20)11-1-2-12-13(7-11)21-9-14(19)17-12/h1-2,7,10H,3-6,9H2,(H,17,19).
What are the key properties of 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile?
1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile has a molecular weight of 285.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49063777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).