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

C26H38N2O — CID 11349939

IUPAC1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
InChIKeyPXFVUZDVIRDKOZ-UHFFFAOYSA-N
MW394.60 g/mol
LogP5.57
Rot. Bonds4

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

1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 11349939) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID11349939
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
InChIKeyPXFVUZDVIRDKOZ-UHFFFAOYSA-N
XLogP5.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one (CID 11349939) is 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is PXFVUZDVIRDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2.
What are the key properties of 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 394.60 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dicyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11349939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).