1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea

C20H23ClFN3O — CID 70195927

IUPAC1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
SMILESCN(C(=O)NC1CCC(Cc2ccc(F)cc2)CN1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c1-25(18-4-2-3-16(21)12-18)20(26)24-19-10-7-15(13-23-19)11-14-5-8-17(22)9-6-14/h2-6,8-9,12,15,19,23H,7,10-11,13H2,1H3,(H,24,26)
InChIKeyGWELJAHSGJWBKJ-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea

1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea (PubChem CID 70195927) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
PubChem CID70195927
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
SMILESCN(C(=O)NC1CCC(Cc2ccc(F)cc2)CN1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c1-25(18-4-2-3-16(21)12-18)20(26)24-19-10-7-15(13-23-19)11-14-5-8-17(22)9-6-14/h2-6,8-9,12,15,19,23H,7,10-11,13H2,1H3,(H,24,26)
InChIKeyGWELJAHSGJWBKJ-UHFFFAOYSA-N
XLogP4.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
CID 142001111
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 155153060
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745
1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
CID 22966109
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 155153161
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
CID 155152936
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
ethyl 3-[[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methylcarbamoylamino]benzoate
CID 22966132
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113143798
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea (CID 70195927) is 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea is CN(C(=O)NC1CCC(Cc2ccc(F)cc2)CN1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea?
The InChIKey is GWELJAHSGJWBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-25(18-4-2-3-16(21)12-18)20(26)24-19-10-7-15(13-23-19)11-14-5-8-17(22)9-6-14/h2-6,8-9,12,15,19,23H,7,10-11,13H2,1H3,(H,24,26).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea?
1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea has a molecular weight of 375.88 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea is sourced from PubChem (CID 70195927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).