3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea

C21H25ClFN3O — CID 6625876

IUPAC3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
SMILESCCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClFN3O/c1-2-25-13-11-18(12-14-25)26(15-16-7-9-17(23)10-8-16)21(27)24-20-6-4-3-5-19(20)22/h3-10,18H,2,11-15H2,1H3,(H,24,27)
InChIKeyNMUJMUQTHOIYCA-UHFFFAOYSA-N
MW389.90 g/mol
LogP5.00
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea

3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea (PubChem CID 6625876) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
PubChem CID6625876
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
SMILESCCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClFN3O/c1-2-25-13-11-18(12-14-25)26(15-16-7-9-17(23)10-8-16)21(27)24-20-6-4-3-5-19(20)22/h3-10,18H,2,11-15H2,1H3,(H,24,27)
InChIKeyNMUJMUQTHOIYCA-UHFFFAOYSA-N
XLogP5.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylphenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 20908251
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
N-(2-chlorophenyl)-2-[cyclopropyl-(1-ethylpiperidin-4-yl)amino]acetamide
CID 75393855
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(2-chloro-5-methoxyphenyl)urea
CID 140907556
1-(2-chlorophenyl)-3-(1-ethylpiperidin-4-yl)thiourea
CID 17282493
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 42696418
1-butyl-3-(2-chlorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038377
3-(2-bromophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 42663076
1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908160

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea (CID 6625876) is 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea is CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is NMUJMUQTHOIYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-2-25-13-11-18(12-14-25)26(15-16-7-9-17(23)10-8-16)21(27)24-20-6-4-3-5-19(20)22/h3-10,18H,2,11-15H2,1H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea?
3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 389.90 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 6625876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).