1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

C17H22N4O2 — CID 96514400

IUPAC1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13-11-15(19-18-13)14-5-4-9-21(12-14)17(23)7-10-20-8-3-2-6-16(20)22/h2-3,6,8,11,14H,4-5,7,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyPXXVUBYFMCSGIW-CQSZACIVSA-N
MW314.39 g/mol
LogP1.68
Rot. Bonds4

About 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 96514400) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID96514400
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13-11-15(19-18-13)14-5-4-9-21(12-14)17(23)7-10-20-8-3-2-6-16(20)22/h2-3,6,8,11,14H,4-5,7,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyPXXVUBYFMCSGIW-CQSZACIVSA-N
XLogP1.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one with MolForge

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Related Compounds

1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 139000061
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95777816
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 71926811
2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926734
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 96514400) is 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is Cc1cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n[nH]1.
What is the InChIKey of 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is PXXVUBYFMCSGIW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-15(19-18-13)14-5-4-9-21(12-14)17(23)7-10-20-8-3-2-6-16(20)22/h2-3,6,8,11,14H,4-5,7,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 96514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).