ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate

C20H26N2O4 — CID 92715776

IUPACethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)CC)CC1
InChIInChI=1S/C20H26N2O4/c1-3-18(23)22-16-8-6-5-7-15(16)13-17(22)19(24)21-11-9-14(10-12-21)20(25)26-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1
InChIKeyYIHAVXLKYROUBT-KRWDZBQOSA-N
MW358.44 g/mol
LogP2.16
Rot. Bonds4

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

ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate (PubChem CID 92715776) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
PubChem CID92715776
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)CC)CC1
InChIInChI=1S/C20H26N2O4/c1-3-18(23)22-16-8-6-5-7-15(16)13-17(22)19(24)21-11-9-14(10-12-21)20(25)26-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1
InChIKeyYIHAVXLKYROUBT-KRWDZBQOSA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954460
ethyl 1-[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 17080683
ethyl 1-[(3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9350886
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
CID 11727048
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate (CID 92715776) is ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)CC)CC1.
What is the InChIKey of ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is YIHAVXLKYROUBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-18(23)22-16-8-6-5-7-15(16)13-17(22)19(24)21-11-9-14(10-12-21)20(25)26-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1.
What are the key properties of ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 92715776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).