2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C12H20N4O3S — CID 125000035

IUPAC2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESC[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(CC(N)=O)C1
InChIInChI=1S/C12H20N4O3S/c1-12(4-3-5-16(8-12)7-10(13)17)11-9(6-14-15-11)20(2,18)19/h6H,3-5,7-8H2,1-2H3,(H2,13,17)(H,14,15)/t12-/m1/s1
InChIKeyRSYWDSBIHTWASQ-GFCCVEGCSA-N
MW300.38 g/mol
LogP-0.35
Rot. Bonds4

About 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide

2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 125000035) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID125000035
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESC[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(CC(N)=O)C1
InChIInChI=1S/C12H20N4O3S/c1-12(4-3-5-16(8-12)7-10(13)17)11-9(6-14-15-11)20(2,18)19/h6H,3-5,7-8H2,1-2H3,(H2,13,17)(H,14,15)/t12-/m1/s1
InChIKeyRSYWDSBIHTWASQ-GFCCVEGCSA-N
XLogP-0.35
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 110272355
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338
2-[(2S)-2-methyl-2-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]acetamide
CID 124640953
5-(1-benzyl-3-methylpiperidin-3-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110272328
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95848502
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 125000035) is 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide is C[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(CC(N)=O)C1.
What is the InChIKey of 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is RSYWDSBIHTWASQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-12(4-3-5-16(8-12)7-10(13)17)11-9(6-14-15-11)20(2,18)19/h6H,3-5,7-8H2,1-2H3,(H2,13,17)(H,14,15)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 300.38 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 125000035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).