tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate

C22H34N2O2 — CID 68871525

IUPACtert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate
SMILESCc1cccc2c1CCN2CCCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H34N2O2/c1-17-7-5-9-20-19(17)12-16-23(20)13-6-8-18-10-14-24(15-11-18)21(25)26-22(2,3)4/h5,7,9,18H,6,8,10-16H2,1-4H3
InChIKeyAGWZDEAJWQNHSV-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.78
Rot. Bonds4

About tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate

tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate (PubChem CID 68871525) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate
PubChem CID68871525
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Nametert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate
SMILESCc1cccc2c1CCN2CCCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H34N2O2/c1-17-7-5-9-20-19(17)12-16-23(20)13-6-8-18-10-14-24(15-11-18)21(25)26-22(2,3)4/h5,7,9,18H,6,8,10-16H2,1-4H3
InChIKeyAGWZDEAJWQNHSV-UHFFFAOYSA-N
XLogP4.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate (CID 68871525) is tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate is Cc1cccc2c1CCN2CCCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate?
The InChIKey is AGWZDEAJWQNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17-7-5-9-20-19(17)12-16-23(20)13-6-8-18-10-14-24(15-11-18)21(25)26-22(2,3)4/h5,7,9,18H,6,8,10-16H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate has a molecular weight of 358.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 68871525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).