3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

C19H27N3O3 — CID 126522706

IUPAC3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24)
InChIKeyYIQGVTGUOCLRTM-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.39
Rot. Bonds2

About 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid (PubChem CID 126522706) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
PubChem CID126522706
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24)
InChIKeyYIQGVTGUOCLRTM-UHFFFAOYSA-N
XLogP3.39
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655676
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid (CID 126522706) is 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid is COc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1.
What is the InChIKey of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is YIQGVTGUOCLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24).
What are the key properties of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 126522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).