2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

C12H20N4O3 — CID 56759119

IUPAC2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC(O)(CO)CC2)cn1
InChIInChI=1S/C12H20N4O3/c1-15-7-10(6-13-15)14-11(18)8-16-4-2-12(19,9-17)3-5-16/h6-7,17,19H,2-5,8-9H2,1H3,(H,14,18)
InChIKeyKNNDPNMBOZYSIK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.82
Rot. Bonds4

About 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 56759119) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID56759119
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC(O)(CO)CC2)cn1
InChIInChI=1S/C12H20N4O3/c1-15-7-10(6-13-15)14-11(18)8-16-4-2-12(19,9-17)3-5-16/h6-7,17,19H,2-5,8-9H2,1H3,(H,14,18)
InChIKeyKNNDPNMBOZYSIK-UHFFFAOYSA-N
XLogP-0.82
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 56759119) is 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)CN2CCC(O)(CO)CC2)cn1.
What is the InChIKey of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is KNNDPNMBOZYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-7-10(6-13-15)14-11(18)8-16-4-2-12(19,9-17)3-5-16/h6-7,17,19H,2-5,8-9H2,1H3,(H,14,18).
What are the key properties of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56759119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).