2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one

C15H27N3O2 — CID 119281331

IUPAC2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h12,16H,4-11H2,1-3H3
InChIKeyRPFNHNJGSIUZGX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds1

About 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 119281331) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID119281331
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h12,16H,4-11H2,1-3H3
InChIKeyRPFNHNJGSIUZGX-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one (CID 119281331) is 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is RPFNHNJGSIUZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h12,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119281331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).