ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate

C24H26N4O3 — CID 46287929

IUPACethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)28-14-12-18(13-15-28)25-23(29)21-19-6-4-5-7-20(19)26-27-22(21)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3,(H,25,29)
InChIKeySMWSONMKNATYCP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.96
Rot. Bonds4

About ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 46287929) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID46287929
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nameethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)28-14-12-18(13-15-28)25-23(29)21-19-6-4-5-7-20(19)26-27-22(21)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3,(H,25,29)
InChIKeySMWSONMKNATYCP-UHFFFAOYSA-N
XLogP3.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 5309684
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[[N'-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111751902
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330086

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate (CID 46287929) is ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1.
What is the InChIKey of ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SMWSONMKNATYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-31-24(30)28-14-12-18(13-15-28)25-23(29)21-19-6-4-5-7-20(19)26-27-22(21)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3,(H,25,29).
What are the key properties of ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46287929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).