ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate

C17H20N2O3 — CID 39715931

IUPACethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)13-6-9-19(10-7-13)16(20)14-4-3-12-5-8-18-15(12)11-14/h3-5,8,11,13,18H,2,6-7,9-10H2,1H3
InChIKeyGEOJCMJUJPSNMU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds3

About ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate (PubChem CID 39715931) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
PubChem CID39715931
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)13-6-9-19(10-7-13)16(20)14-4-3-12-5-8-18-15(12)11-14/h3-5,8,11,13,18H,2,6-7,9-10H2,1H3
InChIKeyGEOJCMJUJPSNMU-UHFFFAOYSA-N
XLogP2.58
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 110766273
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate (CID 39715931) is ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is GEOJCMJUJPSNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)13-6-9-19(10-7-13)16(20)14-4-3-12-5-8-18-15(12)11-14/h3-5,8,11,13,18H,2,6-7,9-10H2,1H3.
What are the key properties of ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 39715931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).