2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide

C28H29N3O5 — CID 11670314

IUPAC2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C28H29N3O5/c1-20(36-23-10-3-2-4-11-23)27(33)30-14-16-31(17-15-30)28(34)22-9-7-8-21(18-22)19-35-25-13-6-5-12-24(25)26(29)32/h2-13,18,20H,14-17,19H2,1H3,(H2,29,32)
InChIKeyGFQYMQNKGPTUFC-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.12
Rot. Bonds8

About 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide

2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide (PubChem CID 11670314) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
PubChem CID11670314
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C28H29N3O5/c1-20(36-23-10-3-2-4-11-23)27(33)30-14-16-31(17-15-30)28(34)22-9-7-8-21(18-22)19-35-25-13-6-5-12-24(25)26(29)32/h2-13,18,20H,14-17,19H2,1H3,(H2,29,32)
InChIKeyGFQYMQNKGPTUFC-UHFFFAOYSA-N
XLogP3.12
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide (CID 11670314) is 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide is CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CC1.
What is the InChIKey of 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is GFQYMQNKGPTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-20(36-23-10-3-2-4-11-23)27(33)30-14-16-31(17-15-30)28(34)22-9-7-8-21(18-22)19-35-25-13-6-5-12-24(25)26(29)32/h2-13,18,20H,14-17,19H2,1H3,(H2,29,32).
What are the key properties of 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 487.56 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 11670314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).