2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C24H29N3O2 — CID 1331173

IUPAC2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(19-20-7-3-1-4-8-20)26-13-11-21(12-14-26)24(29)27-17-15-25(16-18-27)22-9-5-2-6-10-22/h1-10,21H,11-19H2
InChIKeyPJJMPFJFMZTDGU-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.82
Rot. Bonds4

About 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 1331173) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID1331173
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(19-20-7-3-1-4-8-20)26-13-11-21(12-14-26)24(29)27-17-15-25(16-18-27)22-9-5-2-6-10-22/h1-10,21H,11-19H2
InChIKeyPJJMPFJFMZTDGU-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113004944
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
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-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 1331173) is 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is PJJMPFJFMZTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(19-20-7-3-1-4-8-20)26-13-11-21(12-14-26)24(29)27-17-15-25(16-18-27)22-9-5-2-6-10-22/h1-10,21H,11-19H2.
What are the key properties of 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 391.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 1331173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).