ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C21H27N3O4 — CID 108978650

IUPACethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C21H27N3O4/c1-2-28-20(27)23-12-8-16(9-13-23)22-18(25)21(10-11-21)19(26)24-14-7-15-5-3-4-6-17(15)24/h3-6,16H,2,7-14H2,1H3,(H,22,25)
InChIKeySBOIICCBNASANG-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.09
Rot. Bonds4

About ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 108978650) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID108978650
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nameethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C21H27N3O4/c1-2-28-20(27)23-12-8-16(9-13-23)22-18(25)21(10-11-21)19(26)24-14-7-15-5-3-4-6-17(15)24/h3-6,16H,2,7-14H2,1H3,(H,22,25)
InChIKeySBOIICCBNASANG-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71528087
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240701
2,2-Dimethyl-1-[5-[2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240711
3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;hydrochloride
CID 130248616
1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
CID 2761152
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperidin-1-ium-1-yl)propan-1-one
CID 7298710
ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 56832561
Trans-3-methoxy-1-(5-(2-(piperidin-4-ylmethylamino)cyclopropyl)indolin-1-yl)propan-1-one
CID 132240702
Tert-butyl spiro[indoline-3,4'-piperidine]-1'-carboxylate
CID 11437696
tert-butyl 4-(2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
CID 16228668
Tert-butyl 1,2-dihydrospiro(indole-3,4'-piperidine)-1-carboxylate hydrochloride
CID 70701197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 108978650) is ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SBOIICCBNASANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-2-28-20(27)23-12-8-16(9-13-23)22-18(25)21(10-11-21)19(26)24-14-7-15-5-3-4-6-17(15)24/h3-6,16H,2,7-14H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108978650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).