(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C18H19ClN2O2 — CID 3836254

IUPAC(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H19ClN2O2/c1-23-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3
InChIKeyMIGMYLRNBBZPPF-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.31
Rot. Bonds3

About (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 3836254) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID3836254
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H19ClN2O2/c1-23-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3
InChIKeyMIGMYLRNBBZPPF-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38600840
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509
(5-chloro-2-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9089060
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 4571098
[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 20863968
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 3836254) is (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MIGMYLRNBBZPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-23-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3836254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).