ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate

C17H23N3O4 — CID 108884066

IUPACethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-16(22)13-7-9-20(10-8-13)17(23)19-15-6-4-5-14(11-15)18-12(2)21/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeySNAXEFABRCGVHO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.45
Rot. Bonds4

About ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 108884066) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID108884066
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-16(22)13-7-9-20(10-8-13)17(23)19-15-6-4-5-14(11-15)18-12(2)21/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeySNAXEFABRCGVHO-UHFFFAOYSA-N
XLogP2.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[N'-methyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157145
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108886635
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
CID 68565223

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate (CID 108884066) is ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is SNAXEFABRCGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-16(22)13-7-9-20(10-8-13)17(23)19-15-6-4-5-14(11-15)18-12(2)21/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108884066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).