2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide

C13H25N3O3 — CID 79203329

IUPAC2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C13H25N3O3/c1-2-5-14-12(18)11-15-6-8-16(9-7-15)13(19)4-3-10-17/h17H,2-11H2,1H3,(H,14,18)
InChIKeyWFRGOKLIDHHDRF-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.57
Rot. Bonds7

About 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 79203329) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID79203329
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C13H25N3O3/c1-2-5-14-12(18)11-15-6-8-16(9-7-15)13(19)4-3-10-17/h17H,2-11H2,1H3,(H,14,18)
InChIKeyWFRGOKLIDHHDRF-UHFFFAOYSA-N
XLogP-0.57
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
2-[4-[4-(3-bromophenoxy)butanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014552
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide (CID 79203329) is 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CCCO)CC1.
What is the InChIKey of 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is WFRGOKLIDHHDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-5-14-12(18)11-15-6-8-16(9-7-15)13(19)4-3-10-17/h17H,2-11H2,1H3,(H,14,18).
What are the key properties of 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 271.36 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 79203329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).