[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

C22H26ClN3O2 — CID 21367728

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-17-2-5-19(23)16-21(17)25-8-10-26(11-9-25)22(27)18-3-6-20(7-4-18)24-12-14-28-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyCZUUEWMGUGZJFK-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.45
Rot. Bonds3

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 21367728) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID21367728
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-17-2-5-19(23)16-21(17)25-8-10-26(11-9-25)22(27)18-3-6-20(7-4-18)24-12-14-28-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyCZUUEWMGUGZJFK-UHFFFAOYSA-N
XLogP3.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
(3-chloro-4-methylphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2969436
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
[3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 50827918
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[3-methyl-5-(morpholine-4-carbonyl)pyrazol-1-yl]ethanone
CID 42285817
3-chloro-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 4238469
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (CID 21367728) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is CZUUEWMGUGZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-17-2-5-19(23)16-21(17)25-8-10-26(11-9-25)22(27)18-3-6-20(7-4-18)24-12-14-28-15-13-24/h2-7,16H,8-15H2,1H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 399.92 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 21367728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).