N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide

C24H30F3N3O2 — CID 92616683

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C24H30F3N3O2/c1-17(16-32-2)29-23(31)15-30-11-9-20(10-12-30)22-8-5-19(14-28-22)13-18-3-6-21(7-4-18)24(25,26)27/h3-8,14,17,20H,9-13,15-16H2,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyUWMKIKQVFXNSQZ-KRWDZBQOSA-N
MW449.52 g/mol
LogP4.02
Rot. Bonds8

About N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 92616683) has the molecular formula C24H30F3N3O2 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID92616683
Molecular FormulaC24H30F3N3O2
Molecular Weight449.52 g/mol
Exact Mass449.23
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C24H30F3N3O2/c1-17(16-32-2)29-23(31)15-30-11-9-20(10-12-30)22-8-5-19(14-28-22)13-18-3-6-21(7-4-18)24(25,26)27/h3-8,14,17,20H,9-13,15-16H2,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyUWMKIKQVFXNSQZ-KRWDZBQOSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92616487
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615457
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 95834221
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95834223
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 124970558
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 110244348
2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 124947488
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide (CID 92616683) is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide is COC[C@H](C)NC(=O)CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is UWMKIKQVFXNSQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30F3N3O2/c1-17(16-32-2)29-23(31)15-30-11-9-20(10-12-30)22-8-5-19(14-28-22)13-18-3-6-21(7-4-18)24(25,26)27/h3-8,14,17,20H,9-13,15-16H2,1-2H3,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 449.52 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 92616683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).