benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate

C24H28N2O4 — CID 175962179

IUPACbenzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-2-29-23(27)19-11-14-25(15-12-19)21-9-6-10-22-20(21)13-16-26(22)24(28)30-17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3
InChIKeyVESYCSPNUQNOPH-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.17
Rot. Bonds5

About benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate

benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 175962179) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID175962179
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namebenzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-2-29-23(27)19-11-14-25(15-12-19)21-9-6-10-22-20(21)13-16-26(22)24(28)30-17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3
InChIKeyVESYCSPNUQNOPH-UHFFFAOYSA-N
XLogP4.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 170624508
1-O-benzyl 4-O-ethyl (2R,4S)-2-carbamoylpiperidine-1,4-dicarboxylate
CID 129406668
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
3-O-benzyl 7-O-ethyl 3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
CID 57155187
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-O-benzyl 3-O-ethyl (3S,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318908
1-O-benzyl 3-O-ethyl (3R,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318907
ethyl 1-[2-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]piperidine-4-carboxylate
CID 168606075

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate (CID 175962179) is benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate is CCOC(=O)C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is VESYCSPNUQNOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-29-23(27)19-11-14-25(15-12-19)21-9-6-10-22-20(21)13-16-26(22)24(28)30-17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3.
What are the key properties of benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 175962179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).