[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone

C21H30N6O3S — CID 110084764

IUPAC[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C21H30N6O3S/c1-14-18(21(28)26-9-5-4-6-10-26)12-22-20(23-14)17-8-7-11-27(13-17)31(29,30)19-15(2)24-25-16(19)3/h12,17H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyGOLNKPHFDXSAEK-UHFFFAOYSA-N
MW446.58 g/mol
LogP2.32
Rot. Bonds4

About [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone

[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 110084764) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID110084764
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C21H30N6O3S/c1-14-18(21(28)26-9-5-4-6-10-26)12-22-20(23-14)17-8-7-11-27(13-17)31(29,30)19-15(2)24-25-16(19)3/h12,17H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyGOLNKPHFDXSAEK-UHFFFAOYSA-N
XLogP2.32
TPSA112.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248076
2-methoxy-1-[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110248077
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
4-[(3S)-3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-4-oxobutanamide
CID 92639381
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110084678
[2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248101
[4-methyl-2-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 95806769
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403670
[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639352

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone (CID 110084764) is [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone is Cc1nc(C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ncc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is GOLNKPHFDXSAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-14-18(21(28)26-9-5-4-6-10-26)12-22-20(23-14)17-8-7-11-27(13-17)31(29,30)19-15(2)24-25-16(19)3/h12,17H,4-11,13H2,1-3H3,(H,24,25).
What are the key properties of [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 446.58 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110084764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).