2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide

C15H24N4O2 — CID 111497018

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2ccncc2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-14(12-20)19-9-7-18(8-10-19)11-15(21)17-13-3-5-16-6-4-13/h3-6,14,20H,2,7-12H2,1H3,(H,16,17,21)
InChIKeyZKQYLBMLEPXODU-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.41
Rot. Bonds6

About 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 111497018) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
PubChem CID111497018
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2ccncc2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-14(12-20)19-9-7-18(8-10-19)11-15(21)17-13-3-5-16-6-4-13/h3-6,14,20H,2,7-12H2,1H3,(H,16,17,21)
InChIKeyZKQYLBMLEPXODU-UHFFFAOYSA-N
XLogP0.41
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111489807
N-(2,3-dimethylphenyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]acetamide
CID 111489813
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 97027064
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 71908932
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide (CID 111497018) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide is CCC(CO)N1CCN(CC(=O)Nc2ccncc2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is ZKQYLBMLEPXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-14(12-20)19-9-7-18(8-10-19)11-15(21)17-13-3-5-16-6-4-13/h3-6,14,20H,2,7-12H2,1H3,(H,16,17,21).
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 111497018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).