4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one

C17H28N2O3 — CID 97321014

IUPAC4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
SMILESC[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H28N2O3/c1-13(22-15-6-4-2-3-5-7-15)17(21)18-10-11-19(14-8-9-14)16(20)12-18/h13-15H,2-12H2,1H3/t13-/m0/s1
InChIKeyXBKGOANZMKPICD-ZDUSSCGKSA-N
MW308.42 g/mol
LogP1.95
Rot. Bonds4

About 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one

4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one (PubChem CID 97321014) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
PubChem CID97321014
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
SMILESC[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H28N2O3/c1-13(22-15-6-4-2-3-5-7-15)17(21)18-10-11-19(14-8-9-14)16(20)12-18/h13-15H,2-12H2,1H3/t13-/m0/s1
InChIKeyXBKGOANZMKPICD-ZDUSSCGKSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 75495697
(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
CID 124689424
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
CID 110873293
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
CID 118775809
1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 99929160
1-cyclopentyl-4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 77081733
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 120633509

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one (CID 97321014) is 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one is C[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one?
The InChIKey is XBKGOANZMKPICD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(22-15-6-4-2-3-5-7-15)17(21)18-10-11-19(14-8-9-14)16(20)12-18/h13-15H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one?
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 97321014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).