3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one

C17H26N4O3 — CID 157370851

IUPAC3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCC(O)C1CCN(C(=O)CC2CCCN(c3ccn(C)n3)C2=O)C1
InChIInChI=1S/C17H26N4O3/c1-12(22)14-5-9-20(11-14)16(23)10-13-4-3-7-21(17(13)24)15-6-8-19(2)18-15/h6,8,12-14,22H,3-5,7,9-11H2,1-2H3
InChIKeyBJSZAHXSBOTAFO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.78
Rot. Bonds4

About 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 157370851) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID157370851
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCC(O)C1CCN(C(=O)CC2CCCN(c3ccn(C)n3)C2=O)C1
InChIInChI=1S/C17H26N4O3/c1-12(22)14-5-9-20(11-14)16(23)10-13-4-3-7-21(17(13)24)15-6-8-19(2)18-15/h6,8,12-14,22H,3-5,7,9-11H2,1-2H3
InChIKeyBJSZAHXSBOTAFO-UHFFFAOYSA-N
XLogP0.78
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-tert-butylsulfanylpropan-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 84595384
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 91646998
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 115966197
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
CID 97059329
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110023664
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
1-(5-chlorothiophen-2-yl)-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110023255
3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
CID 119920464
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97065767
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 157370851) is 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one is CC(O)C1CCN(C(=O)CC2CCCN(c3ccn(C)n3)C2=O)C1.
What is the InChIKey of 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is BJSZAHXSBOTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(22)14-5-9-20(11-14)16(23)10-13-4-3-7-21(17(13)24)15-6-8-19(2)18-15/h6,8,12-14,22H,3-5,7,9-11H2,1-2H3.
What are the key properties of 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 157370851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).