1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C19H23F2N5O2 — CID 55740254

IUPAC1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23F2N5O2/c20-17(21)28-16-4-2-14(3-5-16)6-11-24-19(27)25-15-7-12-26(13-8-15)18-22-9-1-10-23-18/h1-5,9-10,15,17H,6-8,11-13H2,(H2,24,25,27)
InChIKeyRBRCAALFIMWPRY-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 55740254) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID55740254
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23F2N5O2/c20-17(21)28-16-4-2-14(3-5-16)6-11-24-19(27)25-15-7-12-26(13-8-15)18-22-9-1-10-23-18/h1-5,9-10,15,17H,6-8,11-13H2,(H2,24,25,27)
InChIKeyRBRCAALFIMWPRY-UHFFFAOYSA-N
XLogP2.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 55769009
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998706
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55922079
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea
CID 9283611
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 55740254) is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is O=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is RBRCAALFIMWPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c20-17(21)28-16-4-2-14(3-5-16)6-11-24-19(27)25-15-7-12-26(13-8-15)18-22-9-1-10-23-18/h1-5,9-10,15,17H,6-8,11-13H2,(H2,24,25,27).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 391.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 55740254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).