(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate

C18H24N2O2 — CID 54385727

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2cc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C18H24N2O2/c1-17(2)10-13(11-18(3,4)20-17)22-16(21)15-9-12-7-5-6-8-14(12)19-15/h5-9,13,19-20H,10-11H2,1-4H3
InChIKeyVDCGCCQZYIPCRZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.63
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate (PubChem CID 54385727) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
PubChem CID54385727
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2cc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C18H24N2O2/c1-17(2)10-13(11-18(3,4)20-17)22-16(21)15-9-12-7-5-6-8-14(12)19-15/h5-9,13,19-20H,10-11H2,1-4H3
InChIKeyVDCGCCQZYIPCRZ-UHFFFAOYSA-N
XLogP3.63
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 5194167
chloro 1H-indole-2-carboxylate
CID 68813525
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
CID 70231600
[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
CID 8013052
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 118874466
(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
CID 19790577
butyl 1H-indole-2-carboxylate
CID 54052397
(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
CID 91407160
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate (CID 54385727) is (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate is CC1(C)CC(OC(=O)c2cc3ccccc3[nH]2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate?
The InChIKey is VDCGCCQZYIPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2)10-13(11-18(3,4)20-17)22-16(21)15-9-12-7-5-6-8-14(12)19-15/h5-9,13,19-20H,10-11H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate is sourced from PubChem (CID 54385727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).