(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C18H24F3N3O2 — CID 164584665

IUPAC(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O2/c1-12(24-8-2-3-14(10-24)18(19,20)21)17(25)23-16-7-6-15(9-22-16)26-11-13-4-5-13/h6-7,9,12-14H,2-5,8,10-11H2,1H3,(H,22,23,25)/t12-,14+/m0/s1
InChIKeyIKGLDZAMBYKFLX-GXTWGEPZSA-N
MW371.40 g/mol
LogP3.47
Rot. Bonds6

About (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 164584665) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID164584665
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O2/c1-12(24-8-2-3-14(10-24)18(19,20)21)17(25)23-16-7-6-15(9-22-16)26-11-13-4-5-13/h6-7,9,12-14H,2-5,8,10-11H2,1H3,(H,22,23,25)/t12-,14+/m0/s1
InChIKeyIKGLDZAMBYKFLX-GXTWGEPZSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 164584495
2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27223610
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 164734814
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 163238185
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734906
(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584667
N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584597
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 164584665) is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is IKGLDZAMBYKFLX-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12(24-8-2-3-14(10-24)18(19,20)21)17(25)23-16-7-6-15(9-22-16)26-11-13-4-5-13/h6-7,9,12-14H,2-5,8,10-11H2,1H3,(H,22,23,25)/t12-,14+/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 371.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).