1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate

C18H24N2O2 — CID 54474545

IUPAC1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
SMILESCC1CCN(CC(C)OC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-20(10-8-13)12-14(2)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11,13-14,19H,7-10,12H2,1-2H3
InChIKeyXKPXDPMHDBGIOQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate

1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate (PubChem CID 54474545) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
PubChem CID54474545
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
SMILESCC1CCN(CC(C)OC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-20(10-8-13)12-14(2)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11,13-14,19H,7-10,12H2,1-2H3
InChIKeyXKPXDPMHDBGIOQ-UHFFFAOYSA-N
XLogP3.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
CID 54523063
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 1089179
ethane;methyl 1H-indole-3-carboxylate
CID 143850313

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate?
The IUPAC name of 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate (CID 54474545) is 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate is CC1CCN(CC(C)OC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate?
The InChIKey is XKPXDPMHDBGIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-7-9-20(10-8-13)12-14(2)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11,13-14,19H,7-10,12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate?
1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate is sourced from PubChem (CID 54474545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).