N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide

C17H25N3O4 — CID 113114982

IUPACN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
SMILESCCCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)=O
InChIInChI=1S/C17H25N3O4/c1-3-7-18(14(2)21)8-6-16(22)19-9-11-20(12-10-19)17(23)15-5-4-13-24-15/h4-5,13H,3,6-12H2,1-2H3
InChIKeyDIKYKVCIDFVZES-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.21
Rot. Bonds6

About N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide (PubChem CID 113114982) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
PubChem CID113114982
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
SMILESCCCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)=O
InChIInChI=1S/C17H25N3O4/c1-3-7-18(14(2)21)8-6-16(22)19-9-11-20(12-10-19)17(23)15-5-4-13-24-15/h4-5,13H,3,6-12H2,1-2H3
InChIKeyDIKYKVCIDFVZES-UHFFFAOYSA-N
XLogP1.21
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030084
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
CID 113166520
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)acetamide
CID 113129105
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide (CID 113114982) is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide is CCCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)=O.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The InChIKey is DIKYKVCIDFVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-7-18(14(2)21)8-6-16(22)19-9-11-20(12-10-19)17(23)15-5-4-13-24-15/h4-5,13H,3,6-12H2,1-2H3.
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide has a molecular weight of 335.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide is sourced from PubChem (CID 113114982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).