4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one

C13H23N3O2 — CID 63606898

IUPAC4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CNC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-13(2)12(18)14-7-8-16(13)11(17)9-15-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,14,18)
InChIKeyVOLDWOQKUUZOGN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds3

About 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606898) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606898
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CNC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-13(2)12(18)14-7-8-16(13)11(17)9-15-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,14,18)
InChIKeyVOLDWOQKUUZOGN-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
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-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
CID 63362379
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600754
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one (CID 63606898) is 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CNC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is VOLDWOQKUUZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2)12(18)14-7-8-16(13)11(17)9-15-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).