N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

C19H30N6O2 — CID 50957217

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)c1C
InChIInChI=1S/C19H30N6O2/c1-5-25-14(3)17(13(2)22-25)21-16(26)12-24-9-6-15(7-10-24)18(27)19-20-8-11-23(19)4/h8,11,15,18,27H,5-7,9-10,12H2,1-4H3,(H,21,26)
InChIKeyROAHTQMNUSGXLY-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.64
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 50957217) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
PubChem CID50957217
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)c1C
InChIInChI=1S/C19H30N6O2/c1-5-25-14(3)17(13(2)22-25)21-16(26)12-24-9-6-15(7-10-24)18(27)19-20-8-11-23(19)4/h8,11,15,18,27H,5-7,9-10,12H2,1-4H3,(H,21,26)
InChIKeyROAHTQMNUSGXLY-UHFFFAOYSA-N
XLogP1.64
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{cis-3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl}-2-(2H-1,2,3-triazol-2-yl)acetamide
CID 91770094
1-{4-[2-(2,5-Dimethyl-1H-imidazol-1-YL)ethyl]piperidin-1-YL}-2-(3,5-dimethyl-1H-pyrazol-1-YL)ethan-1-one
CID 124077656
2-(2-methylimidazol-1-yl)-N-[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]acetamide
CID 137995572
(1-methyl-1H-imidazol-2-yl)(1-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)methanol
CID 118783256
N-{2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 124048799
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 125166056
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 125166057
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]amino}acetamide
CID 50975212
(1-methyl-1H-imidazol-2-yl)[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4-piperidinyl]methanol
CID 56883539
(1-methyl-1H-imidazol-2-yl)[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-piperidinyl]methanol
CID 56888770
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 119070418
2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135105566

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (CID 50957217) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is ROAHTQMNUSGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-5-25-14(3)17(13(2)22-25)21-16(26)12-24-9-6-15(7-10-24)18(27)19-20-8-11-23(19)4/h8,11,15,18,27H,5-7,9-10,12H2,1-4H3,(H,21,26).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 50957217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).