4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one

C14H25N3O2 — CID 129490167

IUPAC4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C[C@@H]1CCCNCC1
InChIInChI=1S/C14H25N3O2/c1-14(2)13(19)16-8-9-17(14)12(18)10-11-4-3-6-15-7-5-11/h11,15H,3-10H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyTUKDCJSIKGTWPE-LLVKDONJSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds2

About 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one

4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 129490167) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID129490167
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C[C@@H]1CCCNCC1
InChIInChI=1S/C14H25N3O2/c1-14(2)13(19)16-8-9-17(14)12(18)10-11-4-3-6-15-7-5-11/h11,15H,3-10H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyTUKDCJSIKGTWPE-LLVKDONJSA-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

Analyze 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600754
3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
CID 63875734
4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409
4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
CID 63362379
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-piperidin-3-ylacetyl)piperazine-2,6-dione
CID 66075005
4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
CID 63606898
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one (CID 129490167) is 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C[C@@H]1CCCNCC1.
What is the InChIKey of 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is TUKDCJSIKGTWPE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)13(19)16-8-9-17(14)12(18)10-11-4-3-6-15-7-5-11/h11,15H,3-10H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-[(4R)-azepan-4-yl]acetyl]-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-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 129490167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).