1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea

C19H28N4O2 — CID 71923796

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea
SMILESCC1CC(NC(=O)NC2CCCNC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-14-12-16(9-11-23(14)13-15-6-3-2-4-7-15)21-19(25)22-17-8-5-10-20-18(17)24/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyJQVBFFXWAWHTCZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea

1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea (PubChem CID 71923796) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea
PubChem CID71923796
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea
SMILESCC1CC(NC(=O)NC2CCCNC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-14-12-16(9-11-23(14)13-15-6-3-2-4-7-15)21-19(25)22-17-8-5-10-20-18(17)24/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyJQVBFFXWAWHTCZ-UHFFFAOYSA-N
XLogP1.62
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-benzyl-2-methylpiperidin-4-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 122137724
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 96530121

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea (CID 71923796) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea is CC1CC(NC(=O)NC2CCCNC2=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea?
The InChIKey is JQVBFFXWAWHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-12-16(9-11-23(14)13-15-6-3-2-4-7-15)21-19(25)22-17-8-5-10-20-18(17)24/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea?
1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea has a molecular weight of 344.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 71923796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).