2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C15H29N3O — CID 58394915

IUPAC2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)14-4-6-18(7-5-14)15(19)12-17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyBUZIADFEGZPNAV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.13
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 58394915) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID58394915
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)14-4-6-18(7-5-14)15(19)12-17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyBUZIADFEGZPNAV-UHFFFAOYSA-N
XLogP1.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 58394915) is 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is BUZIADFEGZPNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)14-4-6-18(7-5-14)15(19)12-17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58394915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).