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

C15H26N4O3 — CID 133135484

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1C
InChIInChI=1S/C15H26N4O3/c1-4-19-11(3)15(10(2)17-19)16-14(22)8-18-6-5-12(9-20)13(21)7-18/h12-13,20-21H,4-9H2,1-3H3,(H,16,22)/t12-,13+/m0/s1
InChIKeyLYSDZQZZZGZPBS-QWHCGFSZSA-N
MW310.40 g/mol
LogP0.13
Rot. Bonds5

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

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 133135484) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID133135484
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1C
InChIInChI=1S/C15H26N4O3/c1-4-19-11(3)15(10(2)17-19)16-14(22)8-18-6-5-12(9-20)13(21)7-18/h12-13,20-21H,4-9H2,1-3H3,(H,16,22)/t12-,13+/m0/s1
InChIKeyLYSDZQZZZGZPBS-QWHCGFSZSA-N
XLogP0.13
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
CID 91838166
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CID 124752283
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
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CID 46977003
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CID 124751686
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 95851460
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 11931992

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 133135484) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is LYSDZQZZZGZPBS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-19-11(3)15(10(2)17-19)16-14(22)8-18-6-5-12(9-20)13(21)7-18/h12-13,20-21H,4-9H2,1-3H3,(H,16,22)/t12-,13+/m0/s1.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 133135484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).