2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide

C14H22N4O — CID 103814539

IUPAC2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
SMILESCc1cncc(NC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C14H22N4O/c1-11-8-12(10-16-9-11)17-13(19)14(2,3)18-6-4-15-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,17,19)
InChIKeyCMOLLBPDTBAHOR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide

2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide (PubChem CID 103814539) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
PubChem CID103814539
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
SMILESCc1cncc(NC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C14H22N4O/c1-11-8-12(10-16-9-11)17-13(19)14(2,3)18-6-4-15-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,17,19)
InChIKeyCMOLLBPDTBAHOR-UHFFFAOYSA-N
XLogP1.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide (CID 103814539) is 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide is Cc1cncc(NC(=O)C(C)(C)N2CCNCC2)c1.
What is the InChIKey of 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide?
The InChIKey is CMOLLBPDTBAHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-8-12(10-16-9-11)17-13(19)14(2,3)18-6-4-15-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide?
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide has a molecular weight of 262.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103814539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).