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

C27H34N2O — CID 11327115

IUPAC1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3
InChIKeyKVNPCTLYRRUZDP-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.85
Rot. Bonds4

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

1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 11327115) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID11327115
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3
InChIKeyKVNPCTLYRRUZDP-UHFFFAOYSA-N
XLogP5.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one (CID 11327115) is 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one is CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is KVNPCTLYRRUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3.
What are the key properties of 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 402.58 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-cyclohexylphenyl)ethyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11327115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).