[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

C22H21ClN2O — CID 2097236

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H21ClN2O/c1-16-6-9-20(23)15-21(16)24-10-12-25(13-11-24)22(26)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3
InChIKeyLAOLQOTYUCEBBB-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.76
Rot. Bonds2

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 2097236) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID2097236
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H21ClN2O/c1-16-6-9-20(23)15-21(16)24-10-12-25(13-11-24)22(26)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3
InChIKeyLAOLQOTYUCEBBB-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
N-[5-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 20968001
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 2097236) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is LAOLQOTYUCEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-16-6-9-20(23)15-21(16)24-10-12-25(13-11-24)22(26)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 364.88 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 2097236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).