methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate

C25H29ClN4O4 — CID 46444215

IUPACmethyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c1-34-25(33)23(17-6-8-18(26)9-7-17)30-14-12-29(13-15-30)16-22(31)28-21-5-3-2-4-20(21)24(32)27-19-10-11-19/h2-9,19,23H,10-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyDHIIAIVNFVEAMC-UHFFFAOYSA-N
MW484.98 g/mol
LogP2.70
Rot. Bonds8

About methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate

methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 46444215) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID46444215
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Namemethyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c1-34-25(33)23(17-6-8-18(26)9-7-17)30-14-12-29(13-15-30)16-22(31)28-21-5-3-2-4-20(21)24(32)27-19-10-11-19/h2-9,19,23H,10-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyDHIIAIVNFVEAMC-UHFFFAOYSA-N
XLogP2.70
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
methyl 2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46604969
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
methyl 2-(4-chlorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetate
CID 46444182
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9046791
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 75449368
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate (CID 46444215) is methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate is COC(=O)C(c1ccc(Cl)cc1)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is DHIIAIVNFVEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-34-25(33)23(17-6-8-18(26)9-7-17)30-14-12-29(13-15-30)16-22(31)28-21-5-3-2-4-20(21)24(32)27-19-10-11-19/h2-9,19,23H,10-16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate?
methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 484.98 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 46444215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).