ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate

C22H28N2O4 — CID 71934706

IUPACethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O4/c1-2-28-21(27)22(12-16-6-3-4-7-17(16)13-22)23-19(25)18-8-5-11-24(14-18)20(26)15-9-10-15/h3-4,6-7,15,18H,2,5,8-14H2,1H3,(H,23,25)
InChIKeyLOFLYTPGVYUVCS-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 71934706) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID71934706
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nameethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O4/c1-2-28-21(27)22(12-16-6-3-4-7-17(16)13-22)23-19(25)18-8-5-11-24(14-18)20(26)15-9-10-15/h3-4,6-7,15,18H,2,5,8-14H2,1H3,(H,23,25)
InChIKeyLOFLYTPGVYUVCS-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 95777256
methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
CID 52514979
(3R)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559975
(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559977
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
CID 71933736
ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 108521887
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate (CID 71934706) is ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is LOFLYTPGVYUVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-2-28-21(27)22(12-16-6-3-4-7-17(16)13-22)23-19(25)18-8-5-11-24(14-18)20(26)15-9-10-15/h3-4,6-7,15,18H,2,5,8-14H2,1H3,(H,23,25).
What are the key properties of ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 71934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).