(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone

C16H20N2O — CID 113204953

IUPAC(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(C)c(C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-13-12(2)15(17-14(13)10-11)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyDGTVDCKGMCDKOJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds1

About (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone

(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone (PubChem CID 113204953) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
PubChem CID113204953
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(C)c(C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-13-12(2)15(17-14(13)10-11)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyDGTVDCKGMCDKOJ-UHFFFAOYSA-N
XLogP3.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-piperidin-1-ylmethanone
CID 11574955
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
CID 10731761
azepan-1-yl-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
CID 693034
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone (CID 113204953) is (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone is Cc1ccc2c(C)c(C(=O)N3CCCCC3)[nH]c2c1.
What is the InChIKey of (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is DGTVDCKGMCDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-13-12(2)15(17-14(13)10-11)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 256.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 113204953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).