ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate

C23H30N4O4 — CID 46584411

IUPACethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O4/c1-4-31-22(29)20-14-16(2)27(17(20)3)15-21(28)24-19-10-12-26(13-11-19)23(30)25-18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyYKFQJGCNWSFNOT-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.09
Rot. Bonds6

About ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate

ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate (PubChem CID 46584411) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate
PubChem CID46584411
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nameethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O4/c1-4-31-22(29)20-14-16(2)27(17(20)3)15-21(28)24-19-10-12-26(13-11-19)23(30)25-18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyYKFQJGCNWSFNOT-UHFFFAOYSA-N
XLogP3.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 2,5-dimethyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 8006583
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate (CID 46584411) is ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1C.
What is the InChIKey of ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate?
The InChIKey is YKFQJGCNWSFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-4-31-22(29)20-14-16(2)27(17(20)3)15-21(28)24-19-10-12-26(13-11-19)23(30)25-18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,24,28)(H,25,30).
What are the key properties of ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1-[2-oxo-2-[[1-(phenylcarbamoyl)piperidin-4-yl]amino]ethyl]pyrrole-3-carboxylate is sourced from PubChem (CID 46584411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).