3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one

C13H23N3O3 — CID 63875734

IUPAC3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-13(2)12(18)15-7-8-16(13)11(17)9-19-10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyGKBIJZCUOCOPBL-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds3

About 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one

3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one (PubChem CID 63875734) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
PubChem CID63875734
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-13(2)12(18)15-7-8-16(13)11(17)9-19-10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyGKBIJZCUOCOPBL-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490167
4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
CID 63606898
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one (CID 63875734) is 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)COC1CCNCC1.
What is the InChIKey of 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one?
The InChIKey is GKBIJZCUOCOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2)12(18)15-7-8-16(13)11(17)9-19-10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one?
3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one has a molecular weight of 269.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one is sourced from PubChem (CID 63875734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).