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

C22H29N3O4 — CID 7178384

IUPACN,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C22H29N3O4/c1-3-24(4-2)22(27)17-29-21-16-28-19(14-20(21)26)15-23-10-12-25(13-11-23)18-8-6-5-7-9-18/h5-9,14,16H,3-4,10-13,15,17H2,1-2H3
InChIKeyHHQKYBACURNKLZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.21
Rot. Bonds8

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

N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (PubChem CID 7178384) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
PubChem CID7178384
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C22H29N3O4/c1-3-24(4-2)22(27)17-29-21-16-28-19(14-20(21)26)15-23-10-12-25(13-11-23)18-8-6-5-7-9-18/h5-9,14,16H,3-4,10-13,15,17H2,1-2H3
InChIKeyHHQKYBACURNKLZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (CID 7178384) is N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is CCN(CC)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O.
What is the InChIKey of N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The InChIKey is HHQKYBACURNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-24(4-2)22(27)17-29-21-16-28-19(14-20(21)26)15-23-10-12-25(13-11-23)18-8-6-5-7-9-18/h5-9,14,16H,3-4,10-13,15,17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide has a molecular weight of 399.49 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is sourced from PubChem (CID 7178384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).