3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one

C25H32N2O — CID 10090964

IUPAC3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H32N2O/c28-25(23-9-11-24(12-10-23)27-16-4-5-17-27)13-8-21-14-18-26(19-15-21)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,21H,4-5,8,13-20H2
InChIKeyQRNKSUZCQSSQTL-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.16
Rot. Bonds7

About 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one (PubChem CID 10090964) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one
PubChem CID10090964
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H32N2O/c28-25(23-9-11-24(12-10-23)27-16-4-5-17-27)13-8-21-14-18-26(19-15-21)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,21H,4-5,8,13-20H2
InChIKeyQRNKSUZCQSSQTL-UHFFFAOYSA-N
XLogP5.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one (CID 10090964) is 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The InChIKey is QRNKSUZCQSSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c28-25(23-9-11-24(12-10-23)27-16-4-5-17-27)13-8-21-14-18-26(19-15-21)20-22-6-2-1-3-7-22/h1-3,6-7,9-12,21H,4-5,8,13-20H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one has a molecular weight of 376.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 10090964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).