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

C23H29N3O2 — CID 1317476

IUPAC(2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-21(22)23(27)26-13-11-20(12-14-26)25-17-15-24(16-18-25)19-7-3-2-4-8-19/h2-10,20H,11-18H2,1H3
InChIKeyJSDBCNPRMWLPLH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.12
Rot. Bonds4

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

(2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 1317476) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID1317476
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-21(22)23(27)26-13-11-20(12-14-26)25-17-15-24(16-18-25)19-7-3-2-4-8-19/h2-10,20H,11-18H2,1H3
InChIKeyJSDBCNPRMWLPLH-UHFFFAOYSA-N
XLogP3.12
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (CID 1317476) is (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JSDBCNPRMWLPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-21(22)23(27)26-13-11-20(12-14-26)25-17-15-24(16-18-25)19-7-3-2-4-8-19/h2-10,20H,11-18H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1317476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).