tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate

C19H26N2O3 — CID 45480277

IUPACtert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-13(8-10-21)16-12-20-17-6-5-14(23-4)11-15(16)17/h5-6,11-13,20H,7-10H2,1-4H3
InChIKeyVTNYLHQQIXRGSF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.29
Rot. Bonds2

About tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 45480277) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID45480277
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-13(8-10-21)16-12-20-17-6-5-14(23-4)11-15(16)17/h5-6,11-13,20H,7-10H2,1-4H3
InChIKeyVTNYLHQQIXRGSF-UHFFFAOYSA-N
XLogP4.29
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
tert-butyl 4-[5-[(S)-chloro(cyclopropyl)methyl]-1H-indol-3-yl]piperidine-1-carboxylate
CID 139510374
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
tert-butyl 4-[5-(3,4-difluoroanilino)-1H-indol-3-yl]piperidine-1-carboxylate
CID 123163284
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 130203154
tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 11279519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate (CID 45480277) is tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate is COc1ccc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is VTNYLHQQIXRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-13(8-10-21)16-12-20-17-6-5-14(23-4)11-15(16)17/h5-6,11-13,20H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 45480277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).