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

C25H29N3O4 — CID 11553859

IUPAC2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H29N3O4/c26-23(29)21-10-3-4-11-22(21)32-17-18-6-5-9-20(16-18)25(31)28-14-12-27(13-15-28)24(30)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H2,26,29)
InChIKeyAKPOXCRWIFVINR-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.84
Rot. Bonds6

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

2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide (PubChem CID 11553859) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
PubChem CID11553859
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H29N3O4/c26-23(29)21-10-3-4-11-22(21)32-17-18-6-5-9-20(16-18)25(31)28-14-12-27(13-15-28)24(30)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H2,26,29)
InChIKeyAKPOXCRWIFVINR-UHFFFAOYSA-N
XLogP2.84
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide (CID 11553859) is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is AKPOXCRWIFVINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c26-23(29)21-10-3-4-11-22(21)32-17-18-6-5-9-20(16-18)25(31)28-14-12-27(13-15-28)24(30)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H2,26,29).
What are the key properties of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide?
2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 11553859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).