1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone

C17H26N4O3 — CID 97202293

IUPAC1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1
InChIInChI=1S/C17H26N4O3/c1-12-7-13(2)21(18-12)15-9-20(10-15)17(23)14-5-4-6-19(8-14)16(22)11-24-3/h7,14-15H,4-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeySHWBPOXIBJHYGI-AWEZNQCLSA-N
MW334.42 g/mol
LogP0.77
Rot. Bonds4

About 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 97202293) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID97202293
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1
InChIInChI=1S/C17H26N4O3/c1-12-7-13(2)21(18-12)15-9-20(10-15)17(23)14-5-4-6-19(8-14)16(22)11-24-3/h7,14-15H,4-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeySHWBPOXIBJHYGI-AWEZNQCLSA-N
XLogP0.77
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457
2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70765400
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
1-[3-(azepane-1-carbonyl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46957824
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 95351896
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone (CID 97202293) is 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1.
What is the InChIKey of 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is SHWBPOXIBJHYGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-7-13(2)21(18-12)15-9-20(10-15)17(23)14-5-4-6-19(8-14)16(22)11-24-3/h7,14-15H,4-6,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 334.42 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 97202293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).