tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate

C19H26N2O2 — CID 143790491

IUPACtert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCc1cccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12
InChIInChI=1S/C19H26N2O2/c1-13-6-5-7-15-16(12-20-17(13)15)14-8-10-21(11-9-14)18(22)23-19(2,3)4/h5-7,12,14,20H,8-11H2,1-4H3
InChIKeyLXVHLGXXSZIYDW-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.59
Rot. Bonds1

About tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 143790491) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID143790491
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCc1cccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12
InChIInChI=1S/C19H26N2O2/c1-13-6-5-7-15-16(12-20-17(13)15)14-8-10-21(11-9-14)18(22)23-19(2,3)4/h5-7,12,14,20H,8-11H2,1-4H3
InChIKeyLXVHLGXXSZIYDW-UHFFFAOYSA-N
XLogP4.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-indole-2-carboxylate
CID 129187503
tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
CID 142594147
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate
CID 6490345
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethylidene]azetidine-1-carboxylate
CID 99635730

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate (CID 143790491) is tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate is Cc1cccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12.
What is the InChIKey of tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is LXVHLGXXSZIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-6-5-7-15-16(12-20-17(13)15)14-8-10-21(11-9-14)18(22)23-19(2,3)4/h5-7,12,14,20H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 143790491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).