1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea

C22H28ClN3O — CID 22430442

IUPAC1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-16-11-17(2)13-21(12-16)25-22(27)24-14-18-7-9-26(10-8-18)15-19-3-5-20(23)6-4-19/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H2,24,25,27)
InChIKeyLQTFHQTWBOKOMA-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.99
Rot. Bonds5

About 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea

1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea (PubChem CID 22430442) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
PubChem CID22430442
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-16-11-17(2)13-21(12-16)25-22(27)24-14-18-7-9-26(10-8-18)15-19-3-5-20(23)6-4-19/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H2,24,25,27)
InChIKeyLQTFHQTWBOKOMA-UHFFFAOYSA-N
XLogP4.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 22430384
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 508799
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 23609187
ethyl 4-[[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methylcarbamoylamino]benzoate
CID 92717407
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea (CID 22430442) is 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is LQTFHQTWBOKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-16-11-17(2)13-21(12-16)25-22(27)24-14-18-7-9-26(10-8-18)15-19-3-5-20(23)6-4-19/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea?
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 385.94 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 22430442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).