(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H27N3O — CID 71178804

IUPAC(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15(3)7-5-13/h12-13H,4-11H2,1-3H3
InChIKeyLJCWTXMCJOZCET-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.88
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 71178804) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID71178804
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15(3)7-5-13/h12-13H,4-11H2,1-3H3
InChIKeyLJCWTXMCJOZCET-UHFFFAOYSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 71178804) is (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCN(C)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LJCWTXMCJOZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15(3)7-5-13/h12-13H,4-11H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71178804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).