N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C22H26F3N3O2 — CID 51724922

IUPACN-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCN(Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1
InChIInChI=1S/C22H26F3N3O2/c1-16-4-2-10-27(13-16)14-18-8-6-17(7-9-18)12-26-20(29)15-28-11-3-5-19(21(28)30)22(23,24)25/h3,5-9,11,16H,2,4,10,12-15H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyRBHHMAKSCQBDPW-INIZCTEOSA-N
MW421.46 g/mol
LogP3.42
Rot. Bonds6

About N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 51724922) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID51724922
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCN(Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1
InChIInChI=1S/C22H26F3N3O2/c1-16-4-2-10-27(13-16)14-18-8-6-17(7-9-18)12-26-20(29)15-28-11-3-5-19(21(28)30)22(23,24)25/h3,5-9,11,16H,2,4,10,12-15H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyRBHHMAKSCQBDPW-INIZCTEOSA-N
XLogP3.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629901
N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629899
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30749963
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
tert-butyl 3-[[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]methyl]piperidine-1-carboxylate
CID 86877406
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46473889

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 51724922) is N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@H]1CCCN(Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1.
What is the InChIKey of N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is RBHHMAKSCQBDPW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-16-4-2-10-27(13-16)14-18-8-6-17(7-9-18)12-26-20(29)15-28-11-3-5-19(21(28)30)22(23,24)25/h3,5-9,11,16H,2,4,10,12-15H2,1H3,(H,26,29)/t16-/m0/s1.
What are the key properties of N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 51724922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).