N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide

C14H22N4O4 — CID 110139433

IUPACN-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc(C)cn2)C[C@H]1O
InChIInChI=1S/C14H22N4O4/c1-10-5-16-18(6-10)8-13(21)17-4-3-14(22,12(20)7-17)9-15-11(2)19/h5-6,12,20,22H,3-4,7-9H2,1-2H3,(H,15,19)/t12-,14-/m1/s1
InChIKeyCXAZWLRLJNAYEX-TZMCWYRMSA-N
MW310.35 g/mol
LogP-1.35
Rot. Bonds4

About N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide

N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 110139433) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID110139433
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc(C)cn2)C[C@H]1O
InChIInChI=1S/C14H22N4O4/c1-10-5-16-18(6-10)8-13(21)17-4-3-14(22,12(20)7-17)9-15-11(2)19/h5-6,12,20,22H,3-4,7-9H2,1-2H3,(H,15,19)/t12-,14-/m1/s1
InChIKeyCXAZWLRLJNAYEX-TZMCWYRMSA-N
XLogP-1.35
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]acetamide
CID 112326732
2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methyl-1H-pyrazol-4-yl)acetamide
CID 56759119
(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 110202905
(2S,4R)-4-Hydroxy-1-{1-[(1-isopropyl-1H-pyrazol-4-YL)methyl]-4-piperidyl}-N~2~-methyltetrahydro-1H-pyrrole-2-carboxamide
CID 124050451
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 53609886
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 53620624
4-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 54869333
1-[4-(2-Hydroxybutyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 56803077
N-({(3S*,4S*)-3-hydroxy-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}methyl)pyrrolidine-1-carboxamide
CID 56906104
2-(4-chloro-1H-pyrazol-1-yl)-N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}acetamide
CID 56912106
N-({(3S*,4S*)-3-hydroxy-1-[(1-vinyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}methyl)-2-methylpropanamide
CID 56916860
2-(3-hydroxypiperidin-1-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60497025

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide (CID 110139433) is N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc(C)cn2)C[C@H]1O.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is CXAZWLRLJNAYEX-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10-5-16-18(6-10)8-13(21)17-4-3-14(22,12(20)7-17)9-15-11(2)19/h5-6,12,20,22H,3-4,7-9H2,1-2H3,(H,15,19)/t12-,14-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide?
N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110139433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).