2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C15H25N5O — CID 43462484

IUPAC2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H25N5O/c1-12(2)18(3)15(21)11-19-6-8-20(9-7-19)14-4-5-17-10-13(14)16/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyWQVFVPQAMRSSQH-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 43462484) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID43462484
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H25N5O/c1-12(2)18(3)15(21)11-19-6-8-20(9-7-19)14-4-5-17-10-13(14)16/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyWQVFVPQAMRSSQH-UHFFFAOYSA-N
XLogP0.65
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 43462484) is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCN(c2ccncc2N)CC1.
What is the InChIKey of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is WQVFVPQAMRSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(2)18(3)15(21)11-19-6-8-20(9-7-19)14-4-5-17-10-13(14)16/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 291.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43462484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).