N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide

C18H26N4O2 — CID 128984984

IUPACN,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H26N4O2/c1-13-15(8-11-24-13)18(23)21(3)12-14-6-5-10-20(2)17(14)16-7-9-19-22(16)4/h7-9,11,14,17H,5-6,10,12H2,1-4H3/t14-,17+/m0/s1
InChIKeyNMLKJYYLNHWTRY-WMLDXEAASA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds4

About N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide

N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 128984984) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
PubChem CID128984984
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H26N4O2/c1-13-15(8-11-24-13)18(23)21(3)12-14-6-5-10-20(2)17(14)16-7-9-19-22(16)4/h7-9,11,14,17H,5-6,10,12H2,1-4H3/t14-,17+/m0/s1
InChIKeyNMLKJYYLNHWTRY-WMLDXEAASA-N
XLogP2.48
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128984975
N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
CID 128989345
5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 128984638
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 128983856
N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
CID 128981659
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972925
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 128966832
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
CID 128989481

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide (CID 128984984) is N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is NMLKJYYLNHWTRY-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-15(8-11-24-13)18(23)21(3)12-14-6-5-10-20(2)17(14)16-7-9-19-22(16)4/h7-9,11,14,17H,5-6,10,12H2,1-4H3/t14-,17+/m0/s1.
What are the key properties of N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide?
N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 128984984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).