(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone

C25H33N3O — CID 3781399

IUPAC(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
SMILESCC(CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C25H33N3O/c1-21(22-8-4-2-5-9-22)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-10-6-3-7-11-24/h2-11,21,23H,12-20H2,1H3
InChIKeySOEPCYLBDXEAKF-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.85
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone

(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone (PubChem CID 3781399) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
PubChem CID3781399
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
SMILESCC(CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C25H33N3O/c1-21(22-8-4-2-5-9-22)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-10-6-3-7-11-24/h2-11,21,23H,12-20H2,1H3
InChIKeySOEPCYLBDXEAKF-UHFFFAOYSA-N
XLogP3.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
CID 110246330
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone (CID 3781399) is (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone is CC(CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)c1ccccc1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone?
The InChIKey is SOEPCYLBDXEAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-21(22-8-4-2-5-9-22)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-10-6-3-7-11-24/h2-11,21,23H,12-20H2,1H3.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone has a molecular weight of 391.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 3781399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).