1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

C18H24F3N3OS — CID 91624185

IUPAC1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CCN(C2CCSC2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)14-1-3-15(4-2-14)23-17(25)22-11-13-5-8-24(9-6-13)16-7-10-26-12-16/h1-4,13,16H,5-12H2,(H2,22,23,25)
InChIKeyANUCICPZXSRYDC-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.04
Rot. Bonds4

About 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 91624185) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID91624185
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CCN(C2CCSC2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)14-1-3-15(4-2-14)23-17(25)22-11-13-5-8-24(9-6-13)16-7-10-26-12-16/h1-4,13,16H,5-12H2,(H2,22,23,25)
InChIKeyANUCICPZXSRYDC-UHFFFAOYSA-N
XLogP4.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 100684134
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756
N'-(4-methoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 121109804
N'-(4-ethoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624160
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 47032195
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
1-[4-(1-hydroxyethyl)phenyl]-3-(thiolan-3-ylmethyl)urea
CID 107298006
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 91624185) is 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCC1CCN(C2CCSC2)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ANUCICPZXSRYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c19-18(20,21)14-1-3-15(4-2-14)23-17(25)22-11-13-5-8-24(9-6-13)16-7-10-26-12-16/h1-4,13,16H,5-12H2,(H2,22,23,25).
What are the key properties of 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 387.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 91624185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).