4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one

C14H25N3O2 — CID 63607923

IUPAC4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCCC1(C(=O)N2CCNC(=O)C2(C)C)CCNCC1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-7-15-8-6-14)12(19)17-10-9-16-11(18)13(17,2)3/h15H,4-10H2,1-3H3,(H,16,18)
InChIKeyHXLVGVUKPHYCQX-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds2

About 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one

4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63607923) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63607923
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCCC1(C(=O)N2CCNC(=O)C2(C)C)CCNCC1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-7-15-8-6-14)12(19)17-10-9-16-11(18)13(17,2)3/h15H,4-10H2,1-3H3,(H,16,18)
InChIKeyHXLVGVUKPHYCQX-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-[(E)-but-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 63606699
3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
CID 63875734
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
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
CID 63607802

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one (CID 63607923) is 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one is CCC1(C(=O)N2CCNC(=O)C2(C)C)CCNCC1.
What is the InChIKey of 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is HXLVGVUKPHYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-7-15-8-6-14)12(19)17-10-9-16-11(18)13(17,2)3/h15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).