1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one

C21H30N2O — CID 71624268

IUPAC1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3
InChIKeyIBVAETNABFDYAY-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 71624268) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID71624268
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3
InChIKeyIBVAETNABFDYAY-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one (CID 71624268) is 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one is CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is IBVAETNABFDYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3.
What are the key properties of 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 326.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 71624268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).