[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C23H28ClN3O — CID 10668526

IUPAC[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1
InChIInChI=1S/C23H28ClN3O/c24-21-9-2-3-10-22(21)26-15-13-25(14-16-26)18-19-7-6-8-20(17-19)23(28)27-11-4-1-5-12-27/h2-3,6-10,17H,1,4-5,11-16,18H2
InChIKeyUFYHYCWQQXNJFF-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.29
Rot. Bonds4

About [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 10668526) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID10668526
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1
InChIInChI=1S/C23H28ClN3O/c24-21-9-2-3-10-22(21)26-15-13-25(14-16-26)18-19-7-6-8-20(17-19)23(28)27-11-4-1-5-12-27/h2-3,6-10,17H,1,4-5,11-16,18H2
InChIKeyUFYHYCWQQXNJFF-UHFFFAOYSA-N
XLogP4.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzoyl-4-phenylpiperazine
CID 258240
[3-(4-Phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 984602
[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 11384664
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
2-[3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one
CID 44582490
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 10668526) is [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1.
What is the InChIKey of [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is UFYHYCWQQXNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-21-9-2-3-10-22(21)26-15-13-25(14-16-26)18-19-7-6-8-20(17-19)23(28)27-11-4-1-5-12-27/h2-3,6-10,17H,1,4-5,11-16,18H2.
What are the key properties of [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 397.95 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10668526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).