(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone

C26H40N4O — CID 73334158

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(CN2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H40N4O/c31-26(30-19-11-25(12-20-30)29-15-3-4-16-29)23-7-5-22(6-8-23)21-27-17-9-24(10-18-27)28-13-1-2-14-28/h5-8,24-25H,1-4,9-21H2
InChIKeyLDRBWBBFEDKOAF-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.45
Rot. Bonds5

About (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone

(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone (PubChem CID 73334158) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone
PubChem CID73334158
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(CN2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H40N4O/c31-26(30-19-11-25(12-20-30)29-15-3-4-16-29)23-7-5-22(6-8-23)21-27-17-9-24(10-18-27)28-13-1-2-14-28/h5-8,24-25H,1-4,9-21H2
InChIKeyLDRBWBBFEDKOAF-UHFFFAOYSA-N
XLogP3.45
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone 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-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone (CID 73334158) is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone is O=C(c1ccc(CN2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone?
The InChIKey is LDRBWBBFEDKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c31-26(30-19-11-25(12-20-30)29-15-3-4-16-29)23-7-5-22(6-8-23)21-27-17-9-24(10-18-27)28-13-1-2-14-28/h5-8,24-25H,1-4,9-21H2.
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone?
(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone has a molecular weight of 424.63 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 73334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).