N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide

C24H31N3O5 — CID 42708341

IUPACN-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide
SMILESCCC(C)C(NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)C(C)C1
InChIInChI=1S/C24H31N3O5/c1-4-17(2)22(25-21(28)16-32-19-9-6-5-7-10-19)24(30)26-12-13-27(18(3)15-26)23(29)20-11-8-14-31-20/h5-11,14,17-18,22H,4,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeySWJPTAKSFDKORP-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.56
Rot. Bonds8

About N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide

N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide (PubChem CID 42708341) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide
PubChem CID42708341
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide
SMILESCCC(C)C(NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)C(C)C1
InChIInChI=1S/C24H31N3O5/c1-4-17(2)22(25-21(28)16-32-19-9-6-5-7-10-19)24(30)26-12-13-27(18(3)15-26)23(29)20-11-8-14-31-20/h5-11,14,17-18,22H,4,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeySWJPTAKSFDKORP-UHFFFAOYSA-N
XLogP2.56
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
N-[1-[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 42708596
4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42725485
4-[2-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707519
N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide
CID 42707667
1-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42708327
N-[3-methyl-1-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
CID 42706653
4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710442
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710452
1-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42707735
1-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-3-(2,4-difluorophenyl)urea
CID 42707714
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide (CID 42708341) is N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide is CCC(C)C(NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)C(C)C1.
What is the InChIKey of N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide?
The InChIKey is SWJPTAKSFDKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-17(2)22(25-21(28)16-32-19-9-6-5-7-10-19)24(30)26-12-13-27(18(3)15-26)23(29)20-11-8-14-31-20/h5-11,14,17-18,22H,4,12-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide?
N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide has a molecular weight of 441.53 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42708341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).