5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one

C16H26N4O — CID 82013925

IUPAC5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-14(12-17)5-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-7-18-15/h2-4,7,14H,5-6,8-13,17H2,1H3
InChIKeySVLLOIHARPIRBL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.10
Rot. Bonds6

About 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one

5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 82013925) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID82013925
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-14(12-17)5-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-7-18-15/h2-4,7,14H,5-6,8-13,17H2,1H3
InChIKeySVLLOIHARPIRBL-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 65230073
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
3-benzylsulfanyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 90650755
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760
1-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid
CID 19470852
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82683408
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one (CID 82013925) is 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one is CC(CN)CCC(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is SVLLOIHARPIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14(12-17)5-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-7-18-15/h2-4,7,14H,5-6,8-13,17H2,1H3.
What are the key properties of 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 82013925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).