N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide

C24H31N3O4 — CID 7178338

IUPACN-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCCC1
InChIInChI=1S/C24H31N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h2,5-6,9-10,15,17,19H,1,3-4,7-8,11-14,16,18H2,(H,25,29)
InChIKeyZQEHASFNXQUURA-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.79
Rot. Bonds7

About N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide

N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (PubChem CID 7178338) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
PubChem CID7178338
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCCC1
InChIInChI=1S/C24H31N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h2,5-6,9-10,15,17,19H,1,3-4,7-8,11-14,16,18H2,(H,25,29)
InChIKeyZQEHASFNXQUURA-UHFFFAOYSA-N
XLogP2.79
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (CID 7178338) is N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The InChIKey is ZQEHASFNXQUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h2,5-6,9-10,15,17,19H,1,3-4,7-8,11-14,16,18H2,(H,25,29).
What are the key properties of N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide has a molecular weight of 425.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is sourced from PubChem (CID 7178338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).