N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide

C22H27N3O4 — CID 109048336

IUPACN-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-4-11-23(2)20(26)17-7-9-18(10-8-17)21(27)24-12-14-25(15-13-24)22(28)19-6-5-16-29-19/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyRMOWQIGBOJCIIU-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.75
Rot. Bonds6

About N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide

N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide (PubChem CID 109048336) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
PubChem CID109048336
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-4-11-23(2)20(26)17-7-9-18(10-8-17)21(27)24-12-14-25(15-13-24)22(28)19-6-5-16-29-19/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyRMOWQIGBOJCIIU-UHFFFAOYSA-N
XLogP2.75
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
CID 109286550
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
CID 109055636
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
CID 108950784
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide (CID 109048336) is N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide?
The InChIKey is RMOWQIGBOJCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-4-11-23(2)20(26)17-7-9-18(10-8-17)21(27)24-12-14-25(15-13-24)22(28)19-6-5-16-29-19/h5-10,16H,3-4,11-15H2,1-2H3.
What are the key properties of N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide?
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide is sourced from PubChem (CID 109048336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).