(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone

C16H20N2O — CID 55155671

IUPAC(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H20N2O/c1-16(2)7-9-18(10-8-16)15(19)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyIIUFKOBIKPMSLN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.43
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone

(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 55155671) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID55155671
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H20N2O/c1-16(2)7-9-18(10-8-16)15(19)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyIIUFKOBIKPMSLN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone (CID 55155671) is (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone is CC1(C)CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is IIUFKOBIKPMSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)7-9-18(10-8-16)15(19)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone?
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 55155671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).