1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea

C17H24ClN3O — CID 87003177

IUPAC1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H24ClN3O/c1-20(12-13-4-2-3-5-16(13)18)17(22)19-14-8-10-21(11-9-14)15-6-7-15/h2-5,14-15H,6-12H2,1H3,(H,19,22)
InChIKeyQTQFRTGBDZHJFF-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.11
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea

1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea (PubChem CID 87003177) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
PubChem CID87003177
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H24ClN3O/c1-20(12-13-4-2-3-5-16(13)18)17(22)19-14-8-10-21(11-9-14)15-6-7-15/h2-5,14-15H,6-12H2,1H3,(H,19,22)
InChIKeyQTQFRTGBDZHJFF-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea 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-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
1-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-methylthiourea
CID 116507608
1-(1-cyclopropylpiperidin-4-yl)-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 86994951
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47238706
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
1-[(2-chlorophenyl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)-1-methylurea
CID 46986302
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
CID 71919617
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea (CID 87003177) is 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea is CN(Cc1ccccc1Cl)C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The InChIKey is QTQFRTGBDZHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-20(12-13-4-2-3-5-16(13)18)17(22)19-14-8-10-21(11-9-14)15-6-7-15/h2-5,14-15H,6-12H2,1H3,(H,19,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea has a molecular weight of 321.85 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea is sourced from PubChem (CID 87003177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).