1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea

C21H30N4O — CID 51117990

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
SMILESCC(C)CN1CCC(NC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C21H30N4O/c1-16(2)15-25-13-9-19(10-14-25)24-21(26)23-12-8-18-6-3-5-17-7-4-11-22-20(17)18/h3-7,11,16,19H,8-10,12-15H2,1-2H3,(H2,23,24,26)
InChIKeyBVIQMHMOLJASSA-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea

1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea (PubChem CID 51117990) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
PubChem CID51117990
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
SMILESCC(C)CN1CCC(NC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C21H30N4O/c1-16(2)15-25-13-9-19(10-14-25)24-21(26)23-12-8-18-6-3-5-17-7-4-11-22-20(17)18/h3-7,11,16,19H,8-10,12-15H2,1-2H3,(H2,23,24,26)
InChIKeyBVIQMHMOLJASSA-UHFFFAOYSA-N
XLogP3.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea with MolForge

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
ethyl 4-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329525
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 87000361
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea (CID 51117990) is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea is CC(C)CN1CCC(NC(=O)NCCc2cccc3cccnc23)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea?
The InChIKey is BVIQMHMOLJASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)15-25-13-9-19(10-14-25)24-21(26)23-12-8-18-6-3-5-17-7-4-11-22-20(17)18/h3-7,11,16,19H,8-10,12-15H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea?
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea has a molecular weight of 354.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea is sourced from PubChem (CID 51117990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).