(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide

C19H21F5N4O — CID 129250943

IUPAC(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1CNC[C@](NC(=O)[C@@H](N)C(F)(F)F)(c2ccc(C(F)F)c3ncccc23)C1
InChIInChI=1S/C19H21F5N4O/c1-10-7-18(9-26-8-10,28-17(29)15(25)19(22,23)24)13-5-4-12(16(20)21)14-11(13)3-2-6-27-14/h2-6,10,15-16,26H,7-9,25H2,1H3,(H,28,29)/t10-,15+,18-/m0/s1
InChIKeyOQZKIIDLTSKRGX-VDYXNGCNSA-N
MW416.39 g/mol
LogP3.00
Rot. Bonds4

About (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide

(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide (PubChem CID 129250943) has the molecular formula C19H21F5N4O and a molecular weight of 416.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
PubChem CID129250943
Molecular FormulaC19H21F5N4O
Molecular Weight416.39 g/mol
Exact Mass416.16
IUPAC Name(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1CNC[C@](NC(=O)[C@@H](N)C(F)(F)F)(c2ccc(C(F)F)c3ncccc23)C1
InChIInChI=1S/C19H21F5N4O/c1-10-7-18(9-26-8-10,28-17(29)15(25)19(22,23)24)13-5-4-12(16(20)21)14-11(13)3-2-6-27-14/h2-6,10,15-16,26H,7-9,25H2,1H3,(H,28,29)/t10-,15+,18-/m0/s1
InChIKeyOQZKIIDLTSKRGX-VDYXNGCNSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
CID 129251061
2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129251147
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 129251078
2-amino-N-[(3R,5S)-1-[8-[amino(hydroxy)methyl]quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 166776913
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
CID 129251128
3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
CID 129250826
2-(1-methylpyrrolidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129251043
(2S)-2-hydroxy-3-methyl-N-[(3S,5R)-3-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-yl]butanamide;hydrochloride
CID 129251260
2-amino-N-[(3R,5S)-1-(8-ethylquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 163980777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide (CID 129250943) is (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide is C[C@@H]1CNC[C@](NC(=O)[C@@H](N)C(F)(F)F)(c2ccc(C(F)F)c3ncccc23)C1.
What is the InChIKey of (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
The InChIKey is OQZKIIDLTSKRGX-VDYXNGCNSA-N. The full InChI is InChI=1S/C19H21F5N4O/c1-10-7-18(9-26-8-10,28-17(29)15(25)19(22,23)24)13-5-4-12(16(20)21)14-11(13)3-2-6-27-14/h2-6,10,15-16,26H,7-9,25H2,1H3,(H,28,29)/t10-,15+,18-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide?
(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide has a molecular weight of 416.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 129250943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).