2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide

C19H25FN4O — CID 129251147

IUPAC2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(F)c3ncccc23)C1
InChIInChI=1S/C19H25FN4O/c1-13-9-19(12-21-10-13,23-17(25)11-24(2)3)15-6-7-16(20)18-14(15)5-4-8-22-18/h4-8,13,21H,9-12H2,1-3H3,(H,23,25)/t13-,19-/m0/s1
InChIKeyNKQJESCTGROBQE-DJJJIMSYSA-N
MW344.43 g/mol
LogP1.88
Rot. Bonds4

About 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide

2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide (PubChem CID 129251147) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
PubChem CID129251147
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(F)c3ncccc23)C1
InChIInChI=1S/C19H25FN4O/c1-13-9-19(12-21-10-13,23-17(25)11-24(2)3)15-6-7-16(20)18-14(15)5-4-8-22-18/h4-8,13,21H,9-12H2,1-3H3,(H,23,25)/t13-,19-/m0/s1
InChIKeyNKQJESCTGROBQE-DJJJIMSYSA-N
XLogP1.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
CID 129251061
N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129251076
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 129250943
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
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
N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide
CID 177269146
N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-propan-2-ylazetidin-3-yl)amino]benzamide
CID 177269026
8-fluoro-N-(5-methylpiperidin-3-yl)quinolin-5-amine;hydrochloride
CID 129251175
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide (CID 129251147) is 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide is C[C@@H]1CNC[C@](NC(=O)CN(C)C)(c2ccc(F)c3ncccc23)C1.
What is the InChIKey of 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The InChIKey is NKQJESCTGROBQE-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13-9-19(12-21-10-13,23-17(25)11-24(2)3)15-6-7-16(20)18-14(15)5-4-8-22-18/h4-8,13,21H,9-12H2,1-3H3,(H,23,25)/t13-,19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide?
2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 129251147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).