1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one

C19H24N4O — CID 2728265

IUPAC1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
SMILESCC(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-16(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,20,21)
InChIKeyIUXIFAFKABZUNG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one

1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one (PubChem CID 2728265) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
PubChem CID2728265
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
SMILESCC(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-16(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,20,21)
InChIKeyIUXIFAFKABZUNG-UHFFFAOYSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one (CID 2728265) is 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one is CC(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one?
The InChIKey is IUXIFAFKABZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-16(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,20,21).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one?
1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one is sourced from PubChem (CID 2728265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).