1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one

C15H24N4O — CID 114873487

IUPAC1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O/c1-3-12(2)10-15(20)19-8-6-18(7-9-19)14-4-5-17-11-13(14)16/h4-5,11-12H,3,6-10,16H2,1-2H3
InChIKeyBIOVCIPXXVVOCN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one

1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one (PubChem CID 114873487) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
PubChem CID114873487
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O/c1-3-12(2)10-15(20)19-8-6-18(7-9-19)14-4-5-17-11-13(14)16/h4-5,11-12H,3,6-10,16H2,1-2H3
InChIKeyBIOVCIPXXVVOCN-UHFFFAOYSA-N
XLogP1.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one (CID 114873487) is 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one?
The InChIKey is BIOVCIPXXVVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-12(2)10-15(20)19-8-6-18(7-9-19)14-4-5-17-11-13(14)16/h4-5,11-12H,3,6-10,16H2,1-2H3.
What are the key properties of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one?
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 114873487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).