2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H27N5O3S — CID 47055392

IUPAC2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H27N5O3S/c1-10-14(11(2)19(4)17-10)16-15(21)12(3)20-8-6-7-13(9-20)18-24(5,22)23/h12-13,18H,6-9H2,1-5H3,(H,16,21)
InChIKeyAGAVVMUJJQYBOE-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.38
Rot. Bonds5

About 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 47055392) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID47055392
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H27N5O3S/c1-10-14(11(2)19(4)17-10)16-15(21)12(3)20-8-6-7-13(9-20)18-24(5,22)23/h12-13,18H,6-9H2,1-5H3,(H,16,21)
InChIKeyAGAVVMUJJQYBOE-UHFFFAOYSA-N
XLogP0.38
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
CID 87016782
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 87022044
(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 100843135
(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95314829
1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 52523620
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95301579
N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 86984110
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] cyclopentanecarboxylate
CID 8649353
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943118

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 47055392) is 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is AGAVVMUJJQYBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-10-14(11(2)19(4)17-10)16-15(21)12(3)20-8-6-7-13(9-20)18-24(5,22)23/h12-13,18H,6-9H2,1-5H3,(H,16,21).
What are the key properties of 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 357.48 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47055392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).