2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

C25H27N3O4 — CID 18575660

IUPAC2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C25H27N3O4/c29-23-15-22(17-28-13-11-27(12-14-28)16-20-7-3-1-4-8-20)31-18-24(23)32-19-25(30)26-21-9-5-2-6-10-21/h1-10,15,18H,11-14,16-17,19H2,(H,26,30)
InChIKeyBOVOMZSIBCONJS-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.98
Rot. Bonds8

About 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (PubChem CID 18575660) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
PubChem CID18575660
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C25H27N3O4/c29-23-15-22(17-28-13-11-27(12-14-28)16-20-7-3-1-4-8-20)31-18-24(23)32-19-25(30)26-21-9-5-2-6-10-21/h1-10,15,18H,11-14,16-17,19H2,(H,26,30)
InChIKeyBOVOMZSIBCONJS-UHFFFAOYSA-N
XLogP2.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
CID 60145371
9-Benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567654
N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]-2-methoxy-N-phenylacetamide
CID 126539774
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-4-oxo-4-(4-phenylpiperazin-1-yl)but-2-enoate
CID 6157661
[2-(benzhydrylamino)-2-oxoethyl] (E)-4-oxo-4-(4-phenylpiperazin-1-yl)but-2-enoate
CID 6224108
2-(2,3-Dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7178232
2-((6-((3,4-dihydroquinolin-1(2H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 7178270
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 7178290
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7178299
N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
2-((6-(indolin-1-ylmethyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenethylacetamide
CID 7178371

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (CID 18575660) is 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)Nc1ccccc1.
What is the InChIKey of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is BOVOMZSIBCONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-23-15-22(17-28-13-11-27(12-14-28)16-20-7-3-1-4-8-20)31-18-24(23)32-19-25(30)26-21-9-5-2-6-10-21/h1-10,15,18H,11-14,16-17,19H2,(H,26,30).
What are the key properties of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 433.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 18575660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).