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

C22H32N2O — CID 71624265

IUPAC1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCC1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3
InChIKeySGXKUDSIRVCXTR-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.40
Rot. Bonds4

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

1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 71624265) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID71624265
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCC1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3
InChIKeySGXKUDSIRVCXTR-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (CID 71624265) is 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is CCCC1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is SGXKUDSIRVCXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3.
What are the key properties of 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 71624265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).