2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C15H26N4O — CID 9205498

IUPAC2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-14(5-6-16-19)17-15(20)10-18-8-12(3)7-13(4)9-18/h5-6,11-13H,7-10H2,1-4H3,(H,17,20)/t12-,13+
InChIKeyZHDFNIFAOBQEDC-BETUJISGSA-N
MW278.40 g/mol
LogP2.38
Rot. Bonds4

About 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 9205498) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID9205498
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-14(5-6-16-19)17-15(20)10-18-8-12(3)7-13(4)9-18/h5-6,11-13H,7-10H2,1-4H3,(H,17,20)/t12-,13+
InChIKeyZHDFNIFAOBQEDC-BETUJISGSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 102935920
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 114681188
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205506
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 107408192
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
2-(2-oxo-1-pyridinyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47106513
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95832102

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 9205498) is 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is ZHDFNIFAOBQEDC-BETUJISGSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-14(5-6-16-19)17-15(20)10-18-8-12(3)7-13(4)9-18/h5-6,11-13H,7-10H2,1-4H3,(H,17,20)/t12-,13+.
What are the key properties of 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 9205498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).