[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone

C22H21ClN2O — CID 172718678

IUPAC[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC1CN(C(=O)c2cccc3ccccc23)CCN1c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O/c1-16-15-24(12-13-25(16)19-9-5-8-18(23)14-19)22(26)21-11-4-7-17-6-2-3-10-20(17)21/h2-11,14,16H,12-13,15H2,1H3
InChIKeyGFABPFOQXMUFGQ-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.84
Rot. Bonds2

About [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone

[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 172718678) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID172718678
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC1CN(C(=O)c2cccc3ccccc23)CCN1c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O/c1-16-15-24(12-13-25(16)19-9-5-8-18(23)14-19)22(26)21-11-4-7-17-6-2-3-10-20(17)21/h2-11,14,16H,12-13,15H2,1H3
InChIKeyGFABPFOQXMUFGQ-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 143237963
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
ethyl 2-[4-[(3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carbonyl]-2,6-difluorophenyl]sulfinylacetate
CID 156846483
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
[2-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 23736025
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone (CID 172718678) is [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone is CC1CN(C(=O)c2cccc3ccccc23)CCN1c1cccc(Cl)c1.
What is the InChIKey of [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is GFABPFOQXMUFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-16-15-24(12-13-25(16)19-9-5-8-18(23)14-19)22(26)21-11-4-7-17-6-2-3-10-20(17)21/h2-11,14,16H,12-13,15H2,1H3.
What are the key properties of [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 364.88 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 172718678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).