N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H22F3N3O2 — CID 94175494

IUPACN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCCN1CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H22F3N3O2/c1-12-4-2-3-8-21(12)9-7-20-14(23)11-22-10-13(16(17,18)19)5-6-15(22)24/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyMLEMQFWSLAKYQW-LBPRGKRZSA-N
MW345.37 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 94175494) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID94175494
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCCN1CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H22F3N3O2/c1-12-4-2-3-8-21(12)9-7-20-14(23)11-22-10-13(16(17,18)19)5-6-15(22)24/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyMLEMQFWSLAKYQW-LBPRGKRZSA-N
XLogP1.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 94175494) is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@H]1CCCCN1CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MLEMQFWSLAKYQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-12-4-2-3-8-21(12)9-7-20-14(23)11-22-10-13(16(17,18)19)5-6-15(22)24/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 94175494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).