ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate

C25H33N3O5 — CID 90332286

IUPACethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1
InChIInChI=1S/C25H33N3O5/c1-2-33-25(32)27-14-12-20(13-15-27)28-16-21(22(29)24(28)31)23(30)26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20,29H,2,8-16H2,1H3,(H,26,30)
InChIKeySAOSOTCUONZONF-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.10
Rot. Bonds5

About ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate

ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate (PubChem CID 90332286) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate
PubChem CID90332286
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Nameethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1
InChIInChI=1S/C25H33N3O5/c1-2-33-25(32)27-14-12-20(13-15-27)28-16-21(22(29)24(28)31)23(30)26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20,29H,2,8-16H2,1H3,(H,26,30)
InChIKeySAOSOTCUONZONF-UHFFFAOYSA-N
XLogP3.10
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 90330521
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[4-[(4-methylphenyl)methylcarbamoyl]-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate
CID 5309591
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
ethyl 4-[[N'-(2-benzamidoethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042717
ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 78318993
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-[3-oxo-4-[(4-propan-2-ylphenyl)carbamoyl]-1H-isoindol-2-yl]piperidine-1-carboxylate
CID 46253927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate (CID 90332286) is ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1.
What is the InChIKey of ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate?
The InChIKey is SAOSOTCUONZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-2-33-25(32)27-14-12-20(13-15-27)28-16-21(22(29)24(28)31)23(30)26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20,29H,2,8-16H2,1H3,(H,26,30).
What are the key properties of ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 90332286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).