N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide

C22H22N4O3 — CID 46157200

IUPACN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C22H22N4O3/c27-21(15-17-5-2-1-3-6-17)24-18-8-9-20(23-16-18)25-10-12-26(13-11-25)22(28)19-7-4-14-29-19/h1-9,14,16H,10-13,15H2,(H,24,27)
InChIKeyQACCDQXZTGGPNG-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.82
Rot. Bonds5

About N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 46157200) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID46157200
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C22H22N4O3/c27-21(15-17-5-2-1-3-6-17)24-18-8-9-20(23-16-18)25-10-12-26(13-11-25)22(28)19-7-4-14-29-19/h1-9,14,16H,10-13,15H2,(H,24,27)
InChIKeyQACCDQXZTGGPNG-UHFFFAOYSA-N
XLogP2.82
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylpyrazine-2-carboxamide
CID 109286555
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 172887275
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide (CID 46157200) is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1.
What is the InChIKey of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is QACCDQXZTGGPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(15-17-5-2-1-3-6-17)24-18-8-9-20(23-16-18)25-10-12-26(13-11-25)22(28)19-7-4-14-29-19/h1-9,14,16H,10-13,15H2,(H,24,27).
What are the key properties of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide?
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 390.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 46157200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).