2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C22H25ClN2O2 — CID 110301118

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-27-20-5-3-2-4-19(20)24-12-14-25(15-13-24)22(26)21(16-6-7-16)17-8-10-18(23)11-9-17/h2-5,8-11,16,21H,6-7,12-15H2,1H3
InChIKeyVVGYULHINDXMNE-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 110301118) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID110301118
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-27-20-5-3-2-4-19(20)24-12-14-25(15-13-24)22(26)21(16-6-7-16)17-8-10-18(23)11-9-17/h2-5,8-11,16,21H,6-7,12-15H2,1H3
InChIKeyVVGYULHINDXMNE-UHFFFAOYSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 42561149
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 110301118) is 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)C(c2ccc(Cl)cc2)C2CC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is VVGYULHINDXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-27-20-5-3-2-4-19(20)24-12-14-25(15-13-24)22(26)21(16-6-7-16)17-8-10-18(23)11-9-17/h2-5,8-11,16,21H,6-7,12-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 384.91 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110301118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).