1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea

C14H21N3O — CID 79043190

IUPAC1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C14H21N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-3-9-15-11(13)2/h5-8,11,13,15H,3-4,9H2,1-2H3,(H2,16,17,18)
InChIKeyBXUSVLNNAPODMA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea

1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea (PubChem CID 79043190) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
PubChem CID79043190
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C14H21N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-3-9-15-11(13)2/h5-8,11,13,15H,3-4,9H2,1-2H3,(H2,16,17,18)
InChIKeyBXUSVLNNAPODMA-UHFFFAOYSA-N
XLogP2.26
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3-(2-methylpiperidin-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-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea (CID 79043190) is 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea is Cc1ccc(NC(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The InChIKey is BXUSVLNNAPODMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-3-9-15-11(13)2/h5-8,11,13,15H,3-4,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea is sourced from PubChem (CID 79043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).