1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

C22H28FN3O — CID 22430495

IUPAC1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H28FN3O/c1-16-7-8-20(13-17(16)2)25-22(27)24-14-18-9-11-26(12-10-18)15-19-5-3-4-6-21(19)23/h3-8,13,18H,9-12,14-15H2,1-2H3,(H2,24,25,27)
InChIKeyBSAAQKWLRKPHSF-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.48
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 22430495) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID22430495
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H28FN3O/c1-16-7-8-20(13-17(16)2)25-22(27)24-14-18-9-11-26(12-10-18)15-19-5-3-4-6-21(19)23/h3-8,13,18H,9-12,14-15H2,1-2H3,(H2,24,25,27)
InChIKeyBSAAQKWLRKPHSF-UHFFFAOYSA-N
XLogP4.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]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-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 23609271
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
CID 71991294
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (CID 22430495) is 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is Cc1ccc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is BSAAQKWLRKPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-16-7-8-20(13-17(16)2)25-22(27)24-14-18-9-11-26(12-10-18)15-19-5-3-4-6-21(19)23/h3-8,13,18H,9-12,14-15H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 369.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 22430495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).