1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C14H25N3O2 — CID 110741134

IUPAC1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C)CC2C)CC1
InChIInChI=1S/C14H25N3O2/c1-11-10-15(3)8-9-17(11)14(19)13-4-6-16(7-5-13)12(2)18/h11,13H,4-10H2,1-3H3
InChIKeyLPLSCWWEWLNHAQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.41
Rot. Bonds1

About 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110741134) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID110741134
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C)CC2C)CC1
InChIInChI=1S/C14H25N3O2/c1-11-10-15(3)8-9-17(11)14(19)13-4-6-16(7-5-13)12(2)18/h11,13H,4-10H2,1-3H3
InChIKeyLPLSCWWEWLNHAQ-UHFFFAOYSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 110741134) is 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(C)CC2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is LPLSCWWEWLNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-10-15(3)8-9-17(11)14(19)13-4-6-16(7-5-13)12(2)18/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110741134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).