methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate

C24H23ClN2O3 — CID 46431394

IUPACmethyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H23ClN2O3/c1-30-24(29)22(18-9-11-19(25)12-10-18)26-13-15-27(16-14-26)23(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,22H,13-16H2,1H3
InChIKeyUKVBQKOGAVNIAQ-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.17
Rot. Bonds4

About methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate

methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate (PubChem CID 46431394) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
PubChem CID46431394
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Namemethyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H23ClN2O3/c1-30-24(29)22(18-9-11-19(25)12-10-18)26-13-15-27(16-14-26)23(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,22H,13-16H2,1H3
InChIKeyUKVBQKOGAVNIAQ-UHFFFAOYSA-N
XLogP4.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(4-chlorophenyl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]acetate
CID 30886557
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
methyl 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 43063817
methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
CID 43063623
methyl 2-(4-chlorophenyl)-2-[4-(1-oxidopyridin-1-ium-2-carbonyl)piperazin-1-yl]acetate
CID 60509563
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
methyl 2-[4-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46431466
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
methyl 2-(4-chlorophenyl)-2-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetate
CID 78866443
methyl 2-(4-chlorophenyl)-2-[4-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperazin-1-yl]acetate
CID 43063832
methyl 2-(4-chlorophenyl)-2-[4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetate
CID 46472890
ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
CID 24668308

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate (CID 46431394) is methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate is COC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate?
The InChIKey is UKVBQKOGAVNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-30-24(29)22(18-9-11-19(25)12-10-18)26-13-15-27(16-14-26)23(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-12,22H,13-16H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate?
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate has a molecular weight of 422.91 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 46431394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).