(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone

C23H27N3O2 — CID 4209676

IUPAC(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O2/c27-22(19-8-3-1-4-9-19)26-13-7-10-20(18-26)23(28)25-16-14-24(15-17-25)21-11-5-2-6-12-21/h1-6,8-9,11-12,20H,7,10,13-18H2
InChIKeyHDHFEEPAHHMVCV-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.89
Rot. Bonds3

About (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone

(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4209676) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID4209676
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O2/c27-22(19-8-3-1-4-9-19)26-13-7-10-20(18-26)23(28)25-16-14-24(15-17-25)21-11-5-2-6-12-21/h1-6,8-9,11-12,20H,7,10,13-18H2
InChIKeyHDHFEEPAHHMVCV-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 4209676) is (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HDHFEEPAHHMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(19-8-3-1-4-9-19)26-13-7-10-20(18-26)23(28)25-16-14-24(15-17-25)21-11-5-2-6-12-21/h1-6,8-9,11-12,20H,7,10,13-18H2.
What are the key properties of (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4209676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).