3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide

C20H24N4O4 — CID 108963516

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H24N4O4/c1-20(2,18(26)22-14-15-5-3-7-21-13-15)19(27)24-10-8-23(9-11-24)17(25)16-6-4-12-28-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)
InChIKeyAYWKSQKUELRLJN-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.30
Rot. Bonds5

About 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide

3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 108963516) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
PubChem CID108963516
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H24N4O4/c1-20(2,18(26)22-14-15-5-3-7-21-13-15)19(27)24-10-8-23(9-11-24)17(25)16-6-4-12-28-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)
InChIKeyAYWKSQKUELRLJN-UHFFFAOYSA-N
XLogP1.30
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxopropanamide
CID 108961363
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963508
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157948
furan-2-yl-[4-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112919591
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide
CID 111167753
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide (CID 108963516) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C(=O)NCc1cccnc1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is AYWKSQKUELRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2,18(26)22-14-15-5-3-7-21-13-15)19(27)24-10-8-23(9-11-24)17(25)16-6-4-12-28-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 108963516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).