ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate

C18H24ClN3O4 — CID 113171159

IUPACethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O4/c1-3-26-18(25)21-10-8-14(9-11-21)20-17(24)12-22(13(2)23)16-7-5-4-6-15(16)19/h4-7,14H,3,8-12H2,1-2H3,(H,20,24)
InChIKeySIJVFGAWWKLRIM-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.43
Rot. Bonds5

About ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 113171159) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
PubChem CID113171159
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Nameethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O4/c1-3-26-18(25)21-10-8-14(9-11-21)20-17(24)12-22(13(2)23)16-7-5-4-6-15(16)19/h4-7,14H,3,8-12H2,1-2H3,(H,20,24)
InChIKeySIJVFGAWWKLRIM-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate
CID 3586472
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate (CID 113171159) is ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SIJVFGAWWKLRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-3-26-18(25)21-10-8-14(9-11-21)20-17(24)12-22(13(2)23)16-7-5-4-6-15(16)19/h4-7,14H,3,8-12H2,1-2H3,(H,20,24).
What are the key properties of ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 381.86 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113171159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).