1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea

C17H24N4O — CID 16813051

IUPAC1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C17H24N4O/c1-19-10-8-13(9-11-19)21(3)17(22)18-15-12-20(2)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)
InChIKeyPMQGUAUOVLOHNI-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.74
Rot. Bonds2

About 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea

1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea (PubChem CID 16813051) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
PubChem CID16813051
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C17H24N4O/c1-19-10-8-13(9-11-19)21(3)17(22)18-15-12-20(2)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)
InChIKeyPMQGUAUOVLOHNI-UHFFFAOYSA-N
XLogP2.74
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea (CID 16813051) is 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)Nc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is PMQGUAUOVLOHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19-10-8-13(9-11-19)21(3)17(22)18-15-12-20(2)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea?
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 300.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 16813051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).