1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole

C27H41N3 — CID 134578457

IUPAC1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1
InChIInChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3
InChIKeyNGKDULCWDLWYAO-UHFFFAOYSA-N
MW407.65 g/mol
LogP6.09
Rot. Bonds5

About 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 134578457) has the molecular formula C27H41N3 and a molecular weight of 407.65 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID134578457
Molecular FormulaC27H41N3
Molecular Weight407.65 g/mol
Exact Mass407.33
IUPAC Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1
InChIInChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3
InChIKeyNGKDULCWDLWYAO-UHFFFAOYSA-N
XLogP6.09
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.65
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole (CID 134578457) is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole is CC(C)C1CCC(N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is NGKDULCWDLWYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole?
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 407.65 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 134578457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).