3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea

C19H26N4O2 — CID 176563400

IUPAC3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea
SMILESCNC(=O)N(CCC=O)c1ccc2c(c1)c(C)cn2C1CCNCC1
InChIInChI=1S/C19H26N4O2/c1-14-13-23(15-6-8-21-9-7-15)18-5-4-16(12-17(14)18)22(10-3-11-24)19(25)20-2/h4-5,11-13,15,21H,3,6-10H2,1-2H3,(H,20,25)
InChIKeyRLQREYUNBHHGAB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.61
Rot. Bonds5

About 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea

3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea (PubChem CID 176563400) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea
PubChem CID176563400
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea
SMILESCNC(=O)N(CCC=O)c1ccc2c(c1)c(C)cn2C1CCNCC1
InChIInChI=1S/C19H26N4O2/c1-14-13-23(15-6-8-21-9-7-15)18-5-4-16(12-17(14)18)22(10-3-11-24)19(25)20-2/h4-5,11-13,15,21H,3,6-10H2,1-2H3,(H,20,25)
InChIKeyRLQREYUNBHHGAB-UHFFFAOYSA-N
XLogP2.61
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
CID 139331775
N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine
CID 89110077
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172666990
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
1-cyclopropyl-5-methylindole-3-carbaldehyde
CID 115021718
[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
CID 139331762
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
1-cyclopropyl-3-methylindole;ethane
CID 145207186
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea?
The IUPAC name of 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea (CID 176563400) is 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea.
What is the SMILES notation for 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea?
The canonical SMILES for 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea is CNC(=O)N(CCC=O)c1ccc2c(c1)c(C)cn2C1CCNCC1.
What is the InChIKey of 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea?
The InChIKey is RLQREYUNBHHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-13-23(15-6-8-21-9-7-15)18-5-4-16(12-17(14)18)22(10-3-11-24)19(25)20-2/h4-5,11-13,15,21H,3,6-10H2,1-2H3,(H,20,25).
What are the key properties of 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea?
3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea has a molecular weight of 342.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea is sourced from PubChem (CID 176563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).