3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one

C20H30N4O3 — CID 45227876

IUPAC3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(2)14-24-12-9-22-19(26)16(24)13-18(25)23-10-6-20(27,7-11-23)17-5-3-4-8-21-17/h3-5,8,15-16,27H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyNLDFFWFVNZUHLX-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.74
Rot. Bonds5

About 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one

3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one (PubChem CID 45227876) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
PubChem CID45227876
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(2)14-24-12-9-22-19(26)16(24)13-18(25)23-10-6-20(27,7-11-23)17-5-3-4-8-21-17/h3-5,8,15-16,27H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyNLDFFWFVNZUHLX-UHFFFAOYSA-N
XLogP0.74
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one (CID 45227876) is 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCNC(=O)C1CC(=O)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is NLDFFWFVNZUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(2)14-24-12-9-22-19(26)16(24)13-18(25)23-10-6-20(27,7-11-23)17-5-3-4-8-21-17/h3-5,8,15-16,27H,6-7,9-14H2,1-2H3,(H,22,26).
What are the key properties of 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 374.49 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 45227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).