ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate

C17H20N2O3 — CID 29206160

IUPACethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)13-7-5-9-19(11-13)16(20)15-10-12-6-3-4-8-14(12)18-15/h3-4,6,8,10,13,18H,2,5,7,9,11H2,1H3/t13-/m0/s1
InChIKeyUUPGEMUVSFFEGM-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds3

About ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 29206160) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
PubChem CID29206160
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)13-7-5-9-19(11-13)16(20)15-10-12-6-3-4-8-14(12)18-15/h3-4,6,8,10,13,18H,2,5,7,9,11H2,1H3/t13-/m0/s1
InChIKeyUUPGEMUVSFFEGM-ZDUSSCGKSA-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 (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 7578621
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649922
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate (CID 29206160) is ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is UUPGEMUVSFFEGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)13-7-5-9-19(11-13)16(20)15-10-12-6-3-4-8-14(12)18-15/h3-4,6,8,10,13,18H,2,5,7,9,11H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-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 (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 29206160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).