ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate

C19H27N3O3 — CID 78639869

IUPACethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2c3ccccc3CC2C)CC1
InChIInChI=1S/C19H27N3O3/c1-3-25-19(24)21-10-8-16(9-11-21)20-18(23)13-22-14(2)12-15-6-4-5-7-17(15)22/h4-7,14,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyQCTAPDSQUDFJJA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.17
Rot. Bonds4

About ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 78639869) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID78639869
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2c3ccccc3CC2C)CC1
InChIInChI=1S/C19H27N3O3/c1-3-25-19(24)21-10-8-16(9-11-21)20-18(23)13-22-14(2)12-15-6-4-5-7-17(15)22/h4-7,14,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyQCTAPDSQUDFJJA-UHFFFAOYSA-N
XLogP2.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
CID 51314246
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7826024
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate (CID 78639869) is ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3CC2C)CC1.
What is the InChIKey of ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is QCTAPDSQUDFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-25-19(24)21-10-8-16(9-11-21)20-18(23)13-22-14(2)12-15-6-4-5-7-17(15)22/h4-7,14,16H,3,8-13H2,1-2H3,(H,20,23).
What are the key properties of ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 78639869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).