N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide

C13H16F3N3O — CID 47282597

IUPACN-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F3N3O/c1-9(20)18-11-3-2-6-19(8-11)12-5-4-10(7-17-12)13(14,15)16/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,20)
InChIKeyVLQMQDXJORUXMB-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.21
Rot. Bonds2

About N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide

N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide (PubChem CID 47282597) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
PubChem CID47282597
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F3N3O/c1-9(20)18-11-3-2-6-19(8-11)12-5-4-10(7-17-12)13(14,15)16/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,20)
InChIKeyVLQMQDXJORUXMB-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 92671563
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide
CID 119098943
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide (CID 47282597) is N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The InChIKey is VLQMQDXJORUXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-9(20)18-11-3-2-6-19(8-11)12-5-4-10(7-17-12)13(14,15)16/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,20).
What are the key properties of N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide has a molecular weight of 287.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 47282597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).