3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one

C18H22N4O2 — CID 125152328

IUPAC3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-12(19)16-7-3-5-11-22(16)18(24)13-8-9-15(21-17(13)23)14-6-2-4-10-20-14/h2,4,6,8-10,12,16H,3,5,7,11,19H2,1H3,(H,21,23)/t12-,16+/m0/s1
InChIKeyOBNHFYQGJPMYFQ-BLLLJJGKSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds3

About 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one

3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 125152328) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
PubChem CID125152328
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-12(19)16-7-3-5-11-22(16)18(24)13-8-9-15(21-17(13)23)14-6-2-4-10-20-14/h2,4,6,8-10,12,16H,3,5,7,11,19H2,1H3,(H,21,23)/t12-,16+/m0/s1
InChIKeyOBNHFYQGJPMYFQ-BLLLJJGKSA-N
XLogP1.78
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 94824320
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 47780747
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one (CID 125152328) is 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one is C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is OBNHFYQGJPMYFQ-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(19)16-7-3-5-11-22(16)18(24)13-8-9-15(21-17(13)23)14-6-2-4-10-20-14/h2,4,6,8-10,12,16H,3,5,7,11,19H2,1H3,(H,21,23)/t12-,16+/m0/s1.
What are the key properties of 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 125152328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).