5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C15H18N4O2 — CID 95286731

IUPAC5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)c1
InChIInChI=1S/C15H18N4O2/c1-11-7-17-19(9-11)13-3-2-6-18(10-13)15(21)12-4-5-14(20)16-8-12/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyDJQQZTSGYNKRPG-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.36
Rot. Bonds2

About 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95286731) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95286731
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)c1
InChIInChI=1S/C15H18N4O2/c1-11-7-17-19(9-11)13-3-2-6-18(10-13)15(21)12-4-5-14(20)16-8-12/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyDJQQZTSGYNKRPG-CYBMUJFWSA-N
XLogP1.36
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95281794
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 86905763
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 95286731) is 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)c1.
What is the InChIKey of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DJQQZTSGYNKRPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-7-17-19(9-11)13-3-2-6-18(10-13)15(21)12-4-5-14(20)16-8-12/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95286731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).