N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide

C18H28N4O2 — CID 71984206

IUPACN,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)N(C)C)C(C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-14-7-5-8-16(19-14)21-11-12-22(15(2)13-21)18(24)10-6-9-17(23)20(3)4/h5,7-8,15H,6,9-13H2,1-4H3
InChIKeyPJXSKHYLCAEMTG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds5

About N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide

N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide (PubChem CID 71984206) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide
PubChem CID71984206
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)N(C)C)C(C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-14-7-5-8-16(19-14)21-11-12-22(15(2)13-21)18(24)10-6-9-17(23)20(3)4/h5,7-8,15H,6,9-13H2,1-4H3
InChIKeyPJXSKHYLCAEMTG-UHFFFAOYSA-N
XLogP1.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide?
The IUPAC name of N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide (CID 71984206) is N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide.
What is the SMILES notation for N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide?
The canonical SMILES for N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide is Cc1cccc(N2CCN(C(=O)CCCC(=O)N(C)C)C(C)C2)n1.
What is the InChIKey of N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide?
The InChIKey is PJXSKHYLCAEMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-7-5-8-16(19-14)21-11-12-22(15(2)13-21)18(24)10-6-9-17(23)20(3)4/h5,7-8,15H,6,9-13H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide?
N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide has a molecular weight of 332.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 71984206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).