ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate

C23H33N3O4 — CID 54840863

IUPACethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H33N3O4/c1-2-30-23(29)18-12-14-26(15-13-18)16-21(27)24-20-10-8-17(9-11-20)22(28)25-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyAALVQVXTYJUGNH-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.96
Rot. Bonds7

About ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 54840863) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID54840863
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nameethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H33N3O4/c1-2-30-23(29)18-12-14-26(15-13-18)16-21(27)24-20-10-8-17(9-11-20)22(28)25-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyAALVQVXTYJUGNH-UHFFFAOYSA-N
XLogP2.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
ethyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931262
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperidine-4-carboxylate
CID 54837905
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
CID 8741640
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate (CID 54840863) is ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is AALVQVXTYJUGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-2-30-23(29)18-12-14-26(15-13-18)16-21(27)24-20-10-8-17(9-11-20)22(28)25-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54840863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).