N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide

C18H27N3O4 — CID 113166520

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H27N3O4/c1-14(2)6-7-21(15(3)22)13-17(23)19-8-10-20(11-9-19)18(24)16-5-4-12-25-16/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyDJJCZCGKIMBBOK-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide (PubChem CID 113166520) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
PubChem CID113166520
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H27N3O4/c1-14(2)6-7-21(15(3)22)13-17(23)19-8-10-20(11-9-19)18(24)16-5-4-12-25-16/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyDJJCZCGKIMBBOK-UHFFFAOYSA-N
XLogP1.46
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161616
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114982
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
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113175435

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide (CID 113166520) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCC(C)C)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide?
The InChIKey is DJJCZCGKIMBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14(2)6-7-21(15(3)22)13-17(23)19-8-10-20(11-9-19)18(24)16-5-4-12-25-16/h4-5,12,14H,6-11,13H2,1-3H3.
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113166520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).