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

C22H25ClN2O2 — CID 19297403

IUPAC[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)C3CC3c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-27-19-4-2-3-16(13-19)15-24-9-11-25(12-10-24)22(26)21-14-20(21)17-5-7-18(23)8-6-17/h2-8,13,20-21H,9-12,14-15H2,1H3
InChIKeyHRXXCJGQRXXHAF-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.80
Rot. Bonds5

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

[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19297403) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID19297403
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)C3CC3c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-27-19-4-2-3-16(13-19)15-24-9-11-25(12-10-24)22(26)21-14-20(21)17-5-7-18(23)8-6-17/h2-8,13,20-21H,9-12,14-15H2,1H3
InChIKeyHRXXCJGQRXXHAF-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
CID 19329378
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294877
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120250
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
(1S,2S,3R,4S)-3-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98150026
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
CID 1471626
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
3-(4-chlorophenyl)-4-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 68633022
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 19297403) is [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cccc(CN2CCN(C(=O)C3CC3c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is HRXXCJGQRXXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-27-19-4-2-3-16(13-19)15-24-9-11-25(12-10-24)22(26)21-14-20(21)17-5-7-18(23)8-6-17/h2-8,13,20-21H,9-12,14-15H2,1H3.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 384.91 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19297403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).