3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea

C23H32N4O — CID 122572025

IUPAC3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCC(NC(=O)N(CCc1ccccc1)Cc1cccnc1)C1CCN(C)CC1
InChIInChI=1S/C23H32N4O/c1-19(22-11-14-26(2)15-12-22)25-23(28)27(18-21-9-6-13-24-17-21)16-10-20-7-4-3-5-8-20/h3-9,13,17,19,22H,10-12,14-16,18H2,1-2H3,(H,25,28)
InChIKeyORWVHXSMPUIUAO-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.57
Rot. Bonds7

About 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea

3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 122572025) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID122572025
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCC(NC(=O)N(CCc1ccccc1)Cc1cccnc1)C1CCN(C)CC1
InChIInChI=1S/C23H32N4O/c1-19(22-11-14-26(2)15-12-22)25-23(28)27(18-21-9-6-13-24-17-21)16-10-20-7-4-3-5-8-20/h3-9,13,17,19,22H,10-12,14-16,18H2,1-2H3,(H,25,28)
InChIKeyORWVHXSMPUIUAO-UHFFFAOYSA-N
XLogP3.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)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

3-[(3R)-1-ethylpyrrolidin-3-yl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 126422640
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 131917921
3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 121499552
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
2-cyclopentyloxy-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558468
N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
CID 45182987
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
potassium N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)carbamodithioate
CID 102336342
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-butan-2-ylacetamide
CID 5128589
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea (CID 122572025) is 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea is CC(NC(=O)N(CCc1ccccc1)Cc1cccnc1)C1CCN(C)CC1.
What is the InChIKey of 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is ORWVHXSMPUIUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-19(22-11-14-26(2)15-12-22)25-23(28)27(18-21-9-6-13-24-17-21)16-10-20-7-4-3-5-8-20/h3-9,13,17,19,22H,10-12,14-16,18H2,1-2H3,(H,25,28).
What are the key properties of 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 380.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 122572025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).