[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C24H28ClN3O3 — CID 1075530

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-31-22-7-5-21(6-8-22)26-13-15-28(16-14-26)23(29)18-9-11-27(12-10-18)24(30)19-3-2-4-20(25)17-19/h2-8,17-18H,9-16H2,1H3
InChIKeyGXXYFMHDIGXROD-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.55
Rot. Bonds4

About [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1075530) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID1075530
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-31-22-7-5-21(6-8-22)26-13-15-28(16-14-26)23(29)18-9-11-27(12-10-18)24(30)19-3-2-4-20(25)17-19/h2-8,17-18H,9-16H2,1H3
InChIKeyGXXYFMHDIGXROD-UHFFFAOYSA-N
XLogP3.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 1075530) is [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)cc1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GXXYFMHDIGXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-31-22-7-5-21(6-8-22)26-13-15-28(16-14-26)23(29)18-9-11-27(12-10-18)24(30)19-3-2-4-20(25)17-19/h2-8,17-18H,9-16H2,1H3.
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 441.96 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1075530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).