2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C16H32N4O — CID 57442421

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)19-9-11-20(12-10-19)16(21)13-18-7-5-15(6-8-18)17(3)4/h14-15H,5-13H2,1-4H3
InChIKeyWIYRWCHWHRFQTC-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.56
Rot. Bonds4

About 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442421) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442421
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)19-9-11-20(12-10-19)16(21)13-18-7-5-15(6-8-18)17(3)4/h14-15H,5-13H2,1-4H3
InChIKeyWIYRWCHWHRFQTC-UHFFFAOYSA-N
XLogP0.56
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442421) is 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(N(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WIYRWCHWHRFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14(2)19-9-11-20(12-10-19)16(21)13-18-7-5-15(6-8-18)17(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 296.46 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).