methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate

C18H21N3O4 — CID 42571173

IUPACmethyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H21N3O4/c1-25-16(22)10-19-17(23)13-6-4-8-21(11-13)18(24)15-9-12-5-2-3-7-14(12)20-15/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDJLPTCONIDBFBZ-CYBMUJFWSA-N
MW343.38 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate

methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate (PubChem CID 42571173) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
PubChem CID42571173
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H21N3O4/c1-25-16(22)10-19-17(23)13-6-4-8-21(11-13)18(24)15-9-12-5-2-3-7-14(12)20-15/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDJLPTCONIDBFBZ-CYBMUJFWSA-N
XLogP1.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649922
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate (CID 42571173) is methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is DJLPTCONIDBFBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-25-16(22)10-19-17(23)13-6-4-8-21(11-13)18(24)15-9-12-5-2-3-7-14(12)20-15/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate?
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 343.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 42571173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).