4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

C15H23N3O — CID 75461517

IUPAC4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(CC3CC3)CC2)cc1=O
InChIInChI=1S/C15H23N3O/c1-16-5-4-14(10-15(16)19)12-18-8-6-17(7-9-18)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3
InChIKeyYOEMIYLIMZIELN-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.91
Rot. Bonds4

About 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 75461517) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID75461517
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(CC3CC3)CC2)cc1=O
InChIInChI=1S/C15H23N3O/c1-16-5-4-14(10-15(16)19)12-18-8-6-17(7-9-18)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3
InChIKeyYOEMIYLIMZIELN-UHFFFAOYSA-N
XLogP0.91
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 75461517) is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCN(CC3CC3)CC2)cc1=O.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is YOEMIYLIMZIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-5-4-14(10-15(16)19)12-18-8-6-17(7-9-18)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3.
What are the key properties of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 75461517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).