ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate

C18H24N2O4 — CID 110648883

IUPACethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C18H24N2O4/c1-2-23-18(22)20-10-7-13(8-11-20)19-17(21)15-9-12-24-16-6-4-3-5-14(15)16/h3-6,13,15H,2,7-12H2,1H3,(H,19,21)
InChIKeyLHLMFGYADFMDJH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.29
Rot. Bonds3

About ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate

ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 110648883) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
PubChem CID110648883
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C18H24N2O4/c1-2-23-18(22)20-10-7-13(8-11-20)19-17(21)15-9-12-24-16-6-4-3-5-14(15)16/h3-6,13,15H,2,7-12H2,1H3,(H,19,21)
InChIKeyLHLMFGYADFMDJH-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97276064
ethyl 4-[[N'-(2,3-dihydro-1-benzofuran-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110050388
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
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CID 62365066
ethyl 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38160699
ethyl 4-benzamidopiperidine-1-carboxylate
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ethyl 4-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperidine-1-carboxylate
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N-(2-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
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3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
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ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
CID 108774216

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate (CID 110648883) is ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCOc3ccccc32)CC1.
What is the InChIKey of ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is LHLMFGYADFMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-23-18(22)20-10-7-13(8-11-20)19-17(21)15-9-12-24-16-6-4-3-5-14(15)16/h3-6,13,15H,2,7-12H2,1H3,(H,19,21).
What are the key properties of ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110648883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).