N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide

C15H24N4O2 — CID 70287441

IUPACN-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2CC=CC(C)=N2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-4-3-5-14(17-12)15(21)19-10-8-18(9-11-19)7-6-16-13(2)20/h3-4,14H,5-11H2,1-2H3,(H,16,20)
InChIKeyUHHKUGIPKPLITI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.06
Rot. Bonds4

About N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70287441) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70287441
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2CC=CC(C)=N2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-4-3-5-14(17-12)15(21)19-10-8-18(9-11-19)7-6-16-13(2)20/h3-4,14H,5-11H2,1-2H3,(H,16,20)
InChIKeyUHHKUGIPKPLITI-UHFFFAOYSA-N
XLogP0.06
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide (CID 70287441) is N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(=O)C2CC=CC(C)=N2)CC1.
What is the InChIKey of N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is UHHKUGIPKPLITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-4-3-5-14(17-12)15(21)19-10-8-18(9-11-19)7-6-16-13(2)20/h3-4,14H,5-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70287441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).