1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea

C19H27ClFN3O — CID 126774275

IUPAC1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
SMILESCC(NC(=O)NC1CCN(C2CCCC2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H27ClFN3O/c1-13(14-6-7-18(21)17(20)12-14)22-19(25)23-15-8-10-24(11-9-15)16-4-2-3-5-16/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H2,22,23,25)
InChIKeyPIHVDXQUUPMMHZ-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea

1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea (PubChem CID 126774275) has the molecular formula C19H27ClFN3O and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
PubChem CID126774275
Molecular FormulaC19H27ClFN3O
Molecular Weight367.90 g/mol
Exact Mass367.18
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
SMILESCC(NC(=O)NC1CCN(C2CCCC2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H27ClFN3O/c1-13(14-6-7-18(21)17(20)12-14)22-19(25)23-15-8-10-24(11-9-15)16-4-2-3-5-16/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H2,22,23,25)
InChIKeyPIHVDXQUUPMMHZ-UHFFFAOYSA-N
XLogP4.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 97088779
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
1-[1-(4-chlorophenyl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 42954561
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 136524638
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea (CID 126774275) is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea is CC(NC(=O)NC1CCN(C2CCCC2)CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The InChIKey is PIHVDXQUUPMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O/c1-13(14-6-7-18(21)17(20)12-14)22-19(25)23-15-8-10-24(11-9-15)16-4-2-3-5-16/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea has a molecular weight of 367.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea is sourced from PubChem (CID 126774275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).