1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea

C23H31N3O — CID 2969539

IUPAC1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea
SMILESCc1ccccc1CC1CCN(CCCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-19-8-5-6-9-21(19)18-20-12-16-26(17-13-20)15-7-14-24-23(27)25-22-10-3-2-4-11-22/h2-6,8-11,20H,7,12-18H2,1H3,(H2,24,25,27)
InChIKeyYCEAYDDMEZMWTE-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.46
Rot. Bonds7

About 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea

1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea (PubChem CID 2969539) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea
PubChem CID2969539
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea
SMILESCc1ccccc1CC1CCN(CCCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-19-8-5-6-9-21(19)18-20-12-16-26(17-13-20)15-7-14-24-23(27)25-22-10-3-2-4-11-22/h2-6,8-11,20H,7,12-18H2,1H3,(H2,24,25,27)
InChIKeyYCEAYDDMEZMWTE-UHFFFAOYSA-N
XLogP4.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea 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

Siduron
CID 16116
Isoproturon
CID 36679
CL 277082
CID 125893
Daimuron
CID 39238
Atglistatin
CID 71699712
1-Benzyl-3-(1-naphthyl)urea
CID 668231
Monodesmethylisoproturon
CID 182167
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-Benzyl-1-methyl-3-phenylurea
CID 306455
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
1-methyl-1H-perimidin-2(3H)-one
CID 715306

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea?
The IUPAC name of 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea (CID 2969539) is 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea?
The canonical SMILES for 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea is Cc1ccccc1CC1CCN(CCCNC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea?
The InChIKey is YCEAYDDMEZMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-8-5-6-9-21(19)18-20-12-16-26(17-13-20)15-7-14-24-23(27)25-22-10-3-2-4-11-22/h2-6,8-11,20H,7,12-18H2,1H3,(H2,24,25,27).
What are the key properties of 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea?
1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea has a molecular weight of 365.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(2-methylphenyl)methyl]piperidin-1-yl]propyl]-3-phenylurea is sourced from PubChem (CID 2969539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).