1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one

C19H24N4O2 — CID 2729091

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)Nc2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-15(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)16-7-3-4-8-17(16)25-2/h3-10,15H,11-14H2,1-2H3,(H,20,21)
InChIKeyYBCNPJGKLQRKSW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.24
Rot. Bonds5

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one (PubChem CID 2729091) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
PubChem CID2729091
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)Nc2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-15(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)16-7-3-4-8-17(16)25-2/h3-10,15H,11-14H2,1-2H3,(H,20,21)
InChIKeyYBCNPJGKLQRKSW-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one (CID 2729091) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one is COc1ccccc1N1CCN(C(=O)C(C)Nc2ccccn2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one?
The InChIKey is YBCNPJGKLQRKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)16-7-3-4-8-17(16)25-2/h3-10,15H,11-14H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one is sourced from PubChem (CID 2729091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).