3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide

C19H27N3O3 — CID 124974170

IUPAC3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)22-9-8-21(17-6-10-25-11-7-17)13-18(22)15-4-3-5-16(12-15)19(24)20-2/h3-5,12,17-18H,6-11,13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyKOVHFIVIIDCCNI-SFHVURJKSA-N
MW345.44 g/mol
LogP1.43
Rot. Bonds3

About 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide

3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide (PubChem CID 124974170) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
PubChem CID124974170
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)22-9-8-21(17-6-10-25-11-7-17)13-18(22)15-4-3-5-16(12-15)19(24)20-2/h3-5,12,17-18H,6-11,13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyKOVHFIVIIDCCNI-SFHVURJKSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide (CID 124974170) is 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)c1.
What is the InChIKey of 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide?
The InChIKey is KOVHFIVIIDCCNI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)22-9-8-21(17-6-10-25-11-7-17)13-18(22)15-4-3-5-16(12-15)19(24)20-2/h3-5,12,17-18H,6-11,13H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide?
3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 124974170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).