methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate

C16H18N2O3 — CID 93317948

IUPACmethyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)14-8-4-5-9-18(14)15(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,14,17H,4-5,8-9H2,1H3/t14-/m0/s1
InChIKeyMHTBZZOUFJRCLL-AWEZNQCLSA-N
MW286.33 g/mol
LogP2.34
Rot. Bonds2

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

methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate (PubChem CID 93317948) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
PubChem CID93317948
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)14-8-4-5-9-18(14)15(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,14,17H,4-5,8-9H2,1H3/t14-/m0/s1
InChIKeyMHTBZZOUFJRCLL-AWEZNQCLSA-N
XLogP2.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
CID 115670212
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
CID 61107734
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 58982544
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate (CID 93317948) is methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is MHTBZZOUFJRCLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-16(20)14-8-4-5-9-18(14)15(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,14,17H,4-5,8-9H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate?
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 93317948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).