N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C22H26N4O5 — CID 43038549

IUPACN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccco1
InChIInChI=1S/C22H26N4O5/c27-20(16-24-11-14-30-15-12-24)25-7-9-26(10-8-25)22(29)17-3-5-18(6-4-17)23-21(28)19-2-1-13-31-19/h1-6,13H,7-12,14-16H2,(H,23,28)
InChIKeyREORYCOXMGVOJZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.15
Rot. Bonds5

About N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 43038549) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID43038549
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccco1
InChIInChI=1S/C22H26N4O5/c27-20(16-24-11-14-30-15-12-24)25-7-9-26(10-8-25)22(29)17-3-5-18(6-4-17)23-21(28)19-2-1-13-31-19/h1-6,13H,7-12,14-16H2,(H,23,28)
InChIKeyREORYCOXMGVOJZ-UHFFFAOYSA-N
XLogP1.15
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 46492519
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46442213
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 43038549) is N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is REORYCOXMGVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c27-20(16-24-11-14-30-15-12-24)25-7-9-26(10-8-25)22(29)17-3-5-18(6-4-17)23-21(28)19-2-1-13-31-19/h1-6,13H,7-12,14-16H2,(H,23,28).
What are the key properties of N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 43038549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).