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

C20H23ClN2O2 — CID 113077645

IUPAC(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-15(2)25-19-9-4-3-8-18(19)22-10-12-23(13-11-22)20(24)16-6-5-7-17(21)14-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNNEFEOPZOPSWSS-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.09
Rot. Bonds4

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

(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone (PubChem CID 113077645) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
PubChem CID113077645
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-15(2)25-19-9-4-3-8-18(19)22-10-12-23(13-11-22)20(24)16-6-5-7-17(21)14-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNNEFEOPZOPSWSS-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077620
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079484
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
[1-(3-chlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42826347
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone (CID 113077645) is (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone is CC(C)Oc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NNEFEOPZOPSWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(2)25-19-9-4-3-8-18(19)22-10-12-23(13-11-22)20(24)16-6-5-7-17(21)14-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).