3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C15H22N4O3 — CID 97151881

IUPAC3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)n1cccn1
InChIInChI=1S/C15H22N4O3/c1-2-13(19-7-3-6-16-19)14(20)17-8-4-12(5-9-17)18-10-11-22-15(18)21/h3,6-7,12-13H,2,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyGOPGZTAWKORIAF-ZDUSSCGKSA-N
MW306.37 g/mol
LogP1.28
Rot. Bonds4

About 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 97151881) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID97151881
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)n1cccn1
InChIInChI=1S/C15H22N4O3/c1-2-13(19-7-3-6-16-19)14(20)17-8-4-12(5-9-17)18-10-11-22-15(18)21/h3,6-7,12-13H,2,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyGOPGZTAWKORIAF-ZDUSSCGKSA-N
XLogP1.28
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
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N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
2-(Diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779303
3-[Methyl(propyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 56780181
2-[Cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56780185
1-[2-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 56780341
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72848912
2-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 72865373
N-ethyl-2-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 72874399
4-({4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinyl}carbonyl)morpholine
CID 72880842
N-[1-(4-morpholinylmethyl)cyclopentyl]-2-(1H-pyrazol-1-yl)butanamide
CID 72913596

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 97151881) is 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)n1cccn1.
What is the InChIKey of 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GOPGZTAWKORIAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-13(19-7-3-6-16-19)14(20)17-8-4-12(5-9-17)18-10-11-22-15(18)21/h3,6-7,12-13H,2,4-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97151881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).