1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone

C15H18N2O — CID 43582305

IUPAC1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-10-17(11)15(18)13-6-4-7-14-12(13)8-9-16-14/h4,6-9,11,16H,2-3,5,10H2,1H3
InChIKeySZUDHGHFSPSXPJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.18
Rot. Bonds1

About 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone

1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 43582305) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID43582305
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-10-17(11)15(18)13-6-4-7-14-12(13)8-9-16-14/h4,6-9,11,16H,2-3,5,10H2,1H3
InChIKeySZUDHGHFSPSXPJ-UHFFFAOYSA-N
XLogP3.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
1H-indol-4-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79490163
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60958650
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone (CID 43582305) is 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is SZUDHGHFSPSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-2-3-10-17(11)15(18)13-6-4-7-14-12(13)8-9-16-14/h4,6-9,11,16H,2-3,5,10H2,1H3.
What are the key properties of 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone?
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43582305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).