4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one

C26H34N2O — CID 10000486

IUPAC4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one
SMILESO=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H34N2O/c29-26(24-11-13-25(14-12-24)28-17-4-5-18-28)10-6-9-22-15-19-27(20-16-22)21-23-7-2-1-3-8-23/h1-3,7-8,11-14,22H,4-6,9-10,15-21H2
InChIKeyFWHJQUIXVPWMKW-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.55
Rot. Bonds8

About 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one

4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one (PubChem CID 10000486) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one
PubChem CID10000486
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one
SMILESO=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H34N2O/c29-26(24-11-13-25(14-12-24)28-17-4-5-18-28)10-6-9-22-15-19-27(20-16-22)21-23-7-2-1-3-8-23/h1-3,7-8,11-14,22H,4-6,9-10,15-21H2
InChIKeyFWHJQUIXVPWMKW-UHFFFAOYSA-N
XLogP5.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one 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 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one (CID 10000486) is 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one is O=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one?
The InChIKey is FWHJQUIXVPWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c29-26(24-11-13-25(14-12-24)28-17-4-5-18-28)10-6-9-22-15-19-27(20-16-22)21-23-7-2-1-3-8-23/h1-3,7-8,11-14,22H,4-6,9-10,15-21H2.
What are the key properties of 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one?
4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one has a molecular weight of 390.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one is sourced from PubChem (CID 10000486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).