[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H26ClN3O2 — CID 3436001

IUPAC[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26ClN3O2/c24-21-11-5-4-10-20(21)23(29)27-12-6-7-18(17-27)22(28)26-15-13-25(14-16-26)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2
InChIKeyZRNGRMRMCZUWGG-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.54
Rot. Bonds3

About [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3436001) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3436001
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26ClN3O2/c24-21-11-5-4-10-20(21)23(29)27-12-6-7-18(17-27)22(28)26-15-13-25(14-16-26)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2
InChIKeyZRNGRMRMCZUWGG-UHFFFAOYSA-N
XLogP3.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55633559
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3436001) is [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZRNGRMRMCZUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-21-11-5-4-10-20(21)23(29)27-12-6-7-18(17-27)22(28)26-15-13-25(14-16-26)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 411.93 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).