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

C25H38N4O — CID 73334157

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H38N4O/c30-25(29-19-11-24(12-20-29)27-15-3-4-16-27)21-5-7-22(8-6-21)28-17-9-23(10-18-28)26-13-1-2-14-26/h5-8,23-24H,1-4,9-20H2
InChIKeyQVFQGWUDJLAMFR-UHFFFAOYSA-N
MW410.61 g/mol
LogP3.45
Rot. Bonds4

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

(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone (PubChem CID 73334157) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone
PubChem CID73334157
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H38N4O/c30-25(29-19-11-24(12-20-29)27-15-3-4-16-27)21-5-7-22(8-6-21)28-17-9-23(10-18-28)26-13-1-2-14-26/h5-8,23-24H,1-4,9-20H2
InChIKeyQVFQGWUDJLAMFR-UHFFFAOYSA-N
XLogP3.45
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
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)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone (CID 73334157) is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone is O=C(c1ccc(N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone?
The InChIKey is QVFQGWUDJLAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O/c30-25(29-19-11-24(12-20-29)27-15-3-4-16-27)21-5-7-22(8-6-21)28-17-9-23(10-18-28)26-13-1-2-14-26/h5-8,23-24H,1-4,9-20H2.
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone?
(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methanone has a molecular weight of 410.61 g/mol, XLogP of 3.45, 4 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)phenyl]methanone is sourced from PubChem (CID 73334157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).