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

C20H28N2O — CID 71624267

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H28N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyLWQGADGEVSJGPF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.62
Rot. Bonds3

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

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 71624267) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID71624267
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H28N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyLWQGADGEVSJGPF-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one (CID 71624267) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is LWQGADGEVSJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2.
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 312.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 71624267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).