2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate

C16H20N2O2 — CID 174755697

IUPAC2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate
SMILESO=COCCc1cc2cc(C3CCNCC3)ccc2[nH]1
InChIInChI=1S/C16H20N2O2/c19-11-20-8-5-15-10-14-9-13(1-2-16(14)18-15)12-3-6-17-7-4-12/h1-2,9-12,17-18H,3-8H2
InChIKeyPWPFJIFIFZQRMH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds5

About 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate

2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate (PubChem CID 174755697) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate
PubChem CID174755697
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate
SMILESO=COCCc1cc2cc(C3CCNCC3)ccc2[nH]1
InChIInChI=1S/C16H20N2O2/c19-11-20-8-5-15-10-14-9-13(1-2-16(14)18-15)12-3-6-17-7-4-12/h1-2,9-12,17-18H,3-8H2
InChIKeyPWPFJIFIFZQRMH-UHFFFAOYSA-N
XLogP2.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
1,1,8,11b-tetramethyl-5,6,11,11b-tetrahydro-1H-[1,3]oxazolo[3',4':1,2]pyrido[3,4-b]indol-3-one
CID 5295112
(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol
CID 54186017
N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
CID 709293
ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
CID 4588656
(2-benzyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole-8-yl)-acetic acid
CID 25014795
Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
CID 12444818
methyl (3E)-3-ethylidene-4-[1-[3-(methoxymethyl)-1H-indol-2-yl]ethenyl]piperidine-1-carboxylate
CID 101844701
US10660877, Example 333
CID 134329920
2-(3-methyl-1H-indol-2-yl)ethyl acetate
CID 10560717
(1R,2S,14S,16E)-16-ethylidene-14-methyl-4-aza-14-azoniatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
CID 122178530
(1R,2R,14S,16E)-16-ethylidene-14-methyl-4-aza-14-azoniatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
CID 122178532

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate?
The IUPAC name of 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate (CID 174755697) is 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate is O=COCCc1cc2cc(C3CCNCC3)ccc2[nH]1.
What is the InChIKey of 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate?
The InChIKey is PWPFJIFIFZQRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-20-8-5-15-10-14-9-13(1-2-16(14)18-15)12-3-6-17-7-4-12/h1-2,9-12,17-18H,3-8H2.
What are the key properties of 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate?
2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate has a molecular weight of 272.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1H-indol-2-yl)ethyl formate is sourced from PubChem (CID 174755697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).