[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C22H30N4O4S — CID 90495021

IUPAC[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1
InChIInChI=1S/C22H30N4O4S/c1-17-15-18(2)26(23-17)16-19-7-9-24(10-8-19)22(27)20-3-5-21(6-4-20)31(28,29)25-11-13-30-14-12-25/h3-6,15,19H,7-14,16H2,1-2H3
InChIKeySDVSJHNNVQQQFT-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.07
Rot. Bonds5

About [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 90495021) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID90495021
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1
InChIInChI=1S/C22H30N4O4S/c1-17-15-18(2)26(23-17)16-19-7-9-24(10-8-19)22(27)20-3-5-21(6-4-20)31(28,29)25-11-13-30-14-12-25/h3-6,15,19H,7-14,16H2,1-2H3
InChIKeySDVSJHNNVQQQFT-UHFFFAOYSA-N
XLogP2.07
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
1-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022822
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 92634815
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 90494955

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 90495021) is [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is Cc1cc(C)n(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1.
What is the InChIKey of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is SDVSJHNNVQQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-17-15-18(2)26(23-17)16-19-7-9-24(10-8-19)22(27)20-3-5-21(6-4-20)31(28,29)25-11-13-30-14-12-25/h3-6,15,19H,7-14,16H2,1-2H3.
What are the key properties of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 446.57 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 90495021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).