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

C23H29N3O4 — CID 7178327

IUPACN-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCC1
InChIInChI=1S/C23H29N3O4/c27-21-14-20(15-25-10-12-26(13-11-25)19-8-2-1-3-9-19)29-16-22(21)30-17-23(28)24-18-6-4-5-7-18/h1-3,8-9,14,16,18H,4-7,10-13,15,17H2,(H,24,28)
InChIKeyYNFJTAGXVOJZOC-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.40
Rot. Bonds7

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

N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (PubChem CID 7178327) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
PubChem CID7178327
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCC1
InChIInChI=1S/C23H29N3O4/c27-21-14-20(15-25-10-12-26(13-11-25)19-8-2-1-3-9-19)29-16-22(21)30-17-23(28)24-18-6-4-5-7-18/h1-3,8-9,14,16,18H,4-7,10-13,15,17H2,(H,24,28)
InChIKeyYNFJTAGXVOJZOC-UHFFFAOYSA-N
XLogP2.40
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (CID 7178327) is N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The InChIKey is YNFJTAGXVOJZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-21-14-20(15-25-10-12-26(13-11-25)19-8-2-1-3-9-19)29-16-22(21)30-17-23(28)24-18-6-4-5-7-18/h1-3,8-9,14,16,18H,4-7,10-13,15,17H2,(H,24,28).
What are the key properties of N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide has a molecular weight of 411.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is sourced from PubChem (CID 7178327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).