ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate

C25H30N2O2 — CID 10271712

IUPACethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCc2cc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C25H30N2O2/c1-2-29-25(28)21-11-8-16-26(19-21)17-9-14-23-18-20-10-6-7-15-24(20)27(23)22-12-4-3-5-13-22/h3-7,10,12-13,15,18,21H,2,8-9,11,14,16-17,19H2,1H3
InChIKeyZLZGTZPEUAUJNA-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.84
Rot. Bonds7

About ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate

ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate (PubChem CID 10271712) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
PubChem CID10271712
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Nameethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCc2cc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C25H30N2O2/c1-2-29-25(28)21-11-8-16-26(19-21)17-9-14-23-18-20-10-6-7-15-24(20)27(23)22-12-4-3-5-13-22/h3-7,10,12-13,15,18,21H,2,8-9,11,14,16-17,19H2,1H3
InChIKeyZLZGTZPEUAUJNA-UHFFFAOYSA-N
XLogP4.84
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate
CID 10271142
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
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ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
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ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl 1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylate
CID 57031215
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate (CID 10271712) is ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCCc2cc3ccccc3n2-c2ccccc2)C1.
What is the InChIKey of ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate?
The InChIKey is ZLZGTZPEUAUJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-29-25(28)21-11-8-16-26(19-21)17-9-14-23-18-20-10-6-7-15-24(20)27(23)22-12-4-3-5-13-22/h3-7,10,12-13,15,18,21H,2,8-9,11,14,16-17,19H2,1H3.
What are the key properties of ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate?
ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate is sourced from PubChem (CID 10271712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).