N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

C21H25N3O4 — CID 34471106

IUPACN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)20(27)22-16-7-4-6-15(14-16)18(25)23-9-11-24(12-10-23)19(26)17-8-5-13-28-17/h4-8,13-14H,9-12H2,1-3H3,(H,22,27)
InChIKeyAYYATFVSZKSCAN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.86
Rot. Bonds3

About N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 34471106) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
PubChem CID34471106
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)20(27)22-16-7-4-6-15(14-16)18(25)23-9-11-24(12-10-23)19(26)17-8-5-13-28-17/h4-8,13-14H,9-12H2,1-3H3,(H,22,27)
InChIKeyAYYATFVSZKSCAN-UHFFFAOYSA-N
XLogP2.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166407190
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 30535421
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 30476118
2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide
CID 51132032

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (CID 34471106) is N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is AYYATFVSZKSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(2,3)20(27)22-16-7-4-6-15(14-16)18(25)23-9-11-24(12-10-23)19(26)17-8-5-13-28-17/h4-8,13-14H,9-12H2,1-3H3,(H,22,27).
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 34471106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).