3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone

C21H21N3O3 — CID 68509499

IUPAC3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCCC1.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C14H16N2O.C7H5NO2/c17-14(16-8-4-1-5-9-16)13-10-11-6-2-3-7-12(11)15-13;9-7-8-5-3-1-2-4-6(5)10-7/h2-3,6-7,10,15H,1,4-5,8-9H2;1-4H,(H,8,9)
InChIKeyKFENNPMTTVJSET-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.92
Rot. Bonds1

About 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone

3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone (PubChem CID 68509499) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
PubChem CID68509499
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCCC1.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C14H16N2O.C7H5NO2/c17-14(16-8-4-1-5-9-16)13-10-11-6-2-3-7-12(11)15-13;9-7-8-5-3-1-2-4-6(5)10-7/h2-3,6-7,10,15H,1,4-5,8-9H2;1-4H,(H,8,9)
InChIKeyKFENNPMTTVJSET-UHFFFAOYSA-N
XLogP3.92
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone with MolForge

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Related Compounds

1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160

Frequently Asked Questions

What is the IUPAC name of 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone (CID 68509499) is 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCCCC1.O=c1[nH]c2ccccc2o1.
What is the InChIKey of 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone?
The InChIKey is KFENNPMTTVJSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C7H5NO2/c17-14(16-8-4-1-5-9-16)13-10-11-6-2-3-7-12(11)15-13;9-7-8-5-3-1-2-4-6(5)10-7/h2-3,6-7,10,15H,1,4-5,8-9H2;1-4H,(H,8,9).
What are the key properties of 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone?
3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 68509499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).