(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide

C13H20N4O2 — CID 94486409

IUPAC(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCC[C@H](C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-3-4-11(7-16)13(14)19/h6,11H,3-5,7-8H2,1-2H3,(H2,14,19)/t11-/m0/s1
InChIKeyUSBGIJPBGSNTHI-NSHDSACASA-N
MW264.33 g/mol
LogP0.22
Rot. Bonds3

About (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 94486409) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID94486409
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCC[C@H](C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-3-4-11(7-16)13(14)19/h6,11H,3-5,7-8H2,1-2H3,(H2,14,19)/t11-/m0/s1
InChIKeyUSBGIJPBGSNTHI-NSHDSACASA-N
XLogP0.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 45218026
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 78838915
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63594626
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide (CID 94486409) is (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide is Cc1cc(C)n(CC(=O)N2CCC[C@H](C(N)=O)C2)n1.
What is the InChIKey of (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is USBGIJPBGSNTHI-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-3-4-11(7-16)13(14)19/h6,11H,3-5,7-8H2,1-2H3,(H2,14,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94486409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).