[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C28H28Cl2N4O2 — CID 1069884

IUPAC[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H28Cl2N4O2/c29-23-6-2-8-25(19-23)31-10-14-33(15-11-31)27(35)21-4-1-5-22(18-21)28(36)34-16-12-32(13-17-34)26-9-3-7-24(30)20-26/h1-9,18-20H,10-17H2
InChIKeyBSIGJYFGHUQETP-UHFFFAOYSA-N
MW523.46 g/mol
LogP4.92
Rot. Bonds4

About [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1069884) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1069884
Molecular FormulaC28H28Cl2N4O2
Molecular Weight523.46 g/mol
Exact Mass522.16
IUPAC Name[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H28Cl2N4O2/c29-23-6-2-8-25(19-23)31-10-14-33(15-11-31)27(35)21-4-1-5-22(18-21)28(36)34-16-12-32(13-17-34)26-9-3-7-24(30)20-26/h1-9,18-20H,10-17H2
InChIKeyBSIGJYFGHUQETP-UHFFFAOYSA-N
XLogP4.92
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1069884) is [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is BSIGJYFGHUQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c29-23-6-2-8-25(19-23)31-10-14-33(15-11-31)27(35)21-4-1-5-22(18-21)28(36)34-16-12-32(13-17-34)26-9-3-7-24(30)20-26/h1-9,18-20H,10-17H2.
What are the key properties of [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 523.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1069884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).