N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

C18H23F3N2O2S — CID 100682756

IUPACN-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)25-16-3-1-14(2-4-16)17(24)22-11-13-5-8-23(9-6-13)15-7-10-26-12-15/h1-4,13,15H,5-12H2,(H,22,24)/t15-/m1/s1
InChIKeySEHPAIQKVZJNNY-OAHLLOKOSA-N
MW388.46 g/mol
LogP3.53
Rot. Bonds5

About N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 100682756) has the molecular formula C18H23F3N2O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID100682756
Molecular FormulaC18H23F3N2O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC NameN-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)25-16-3-1-14(2-4-16)17(24)22-11-13-5-8-23(9-6-13)15-7-10-26-12-15/h1-4,13,15H,5-12H2,(H,22,24)/t15-/m1/s1
InChIKeySEHPAIQKVZJNNY-OAHLLOKOSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 91624185
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
N'-(4-methoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 121109804
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 100682683
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
N'-(4-ethoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624160
N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 100684134
N-[[1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796797
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 100682756) is N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is SEHPAIQKVZJNNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23F3N2O2S/c19-18(20,21)25-16-3-1-14(2-4-16)17(24)22-11-13-5-8-23(9-6-13)15-7-10-26-12-15/h1-4,13,15H,5-12H2,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 388.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 100682756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).