N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide

C19H30N6O — CID 128989345

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cnc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C19H30N6O/c1-14(2)25-12-16(20-13-25)19(26)23(4)11-15-7-6-10-22(3)18(15)17-8-9-21-24(17)5/h8-9,12-15,18H,6-7,10-11H2,1-5H3/t15-,18+/m0/s1
InChIKeyYELGBJPCAXDDHG-MAUKXSAKSA-N
MW358.49 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide

N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide (PubChem CID 128989345) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
PubChem CID128989345
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cnc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C19H30N6O/c1-14(2)25-12-16(20-13-25)19(26)23(4)11-15-7-6-10-22(3)18(15)17-8-9-21-24(17)5/h8-9,12-15,18H,6-7,10-11H2,1-5H3/t15-,18+/m0/s1
InChIKeyYELGBJPCAXDDHG-MAUKXSAKSA-N
XLogP2.35
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 128984638
N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 128984984
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
CID 128981659
[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 128983856
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
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-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128989291
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 129340191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide (CID 128989345) is N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide is CC(C)n1cnc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide?
The InChIKey is YELGBJPCAXDDHG-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H30N6O/c1-14(2)25-12-16(20-13-25)19(26)23(4)11-15-7-6-10-22(3)18(15)17-8-9-21-24(17)5/h8-9,12-15,18H,6-7,10-11H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 128989345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).