(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone

C15H19N3O — CID 115273190

IUPAC(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C15H19N3O/c1-15(2)10-18(8-7-17-15)14(19)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10H2,1-2H3
InChIKeyNAABJJWDBXALQW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 115273190) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
PubChem CID115273190
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C15H19N3O/c1-15(2)10-18(8-7-17-15)14(19)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10H2,1-2H3
InChIKeyNAABJJWDBXALQW-UHFFFAOYSA-N
XLogP1.99
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
3-(2,2-dimethylthiomorpholine-4-carbonyl)-1H-quinolin-4-one
CID 71975257
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone (CID 115273190) is (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone is CC1(C)CN(C(=O)c2c[nH]c3ccccc23)CCN1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is NAABJJWDBXALQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)10-18(8-7-17-15)14(19)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10H2,1-2H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 115273190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).