2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide

C15H19F3N2O2 — CID 97160311

IUPAC2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-5-1-3-11(7-13)9-20-6-2-4-12(10-20)8-14(19)21/h1,3,5,7,12H,2,4,6,8-10H2,(H2,19,21)/t12-/m0/s1
InChIKeyVRDXEBGTYMUADX-LBPRGKRZSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds5

About 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide

2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 97160311) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID97160311
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-5-1-3-11(7-13)9-20-6-2-4-12(10-20)8-14(19)21/h1,3,5,7,12H,2,4,6,8-10H2,(H2,19,21)/t12-/m0/s1
InChIKeyVRDXEBGTYMUADX-LBPRGKRZSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
CID 145119200
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 177337343
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 120953620
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide (CID 97160311) is 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide is NC(=O)C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is VRDXEBGTYMUADX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-5-1-3-11(7-13)9-20-6-2-4-12(10-20)8-14(19)21/h1,3,5,7,12H,2,4,6,8-10H2,(H2,19,21)/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97160311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).