(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one

C15H26N2O3 — CID 129400303

IUPAC(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one
SMILESCCC[C@]1(C)C(=O)NCCN1C(=O)C[C@H]1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(2)14(19)16-8-9-17(15)13(18)11-12-6-4-5-10-20-12/h12H,3-11H2,1-2H3,(H,16,19)/t12-,15-/m1/s1
InChIKeyGPJPZXUUNGLNFW-IUODEOHRSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds4

About (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one

(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one (PubChem CID 129400303) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one
PubChem CID129400303
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one
SMILESCCC[C@]1(C)C(=O)NCCN1C(=O)C[C@H]1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(2)14(19)16-8-9-17(15)13(18)11-12-6-4-5-10-20-12/h12H,3-11H2,1-2H3,(H,16,19)/t12-,15-/m1/s1
InChIKeyGPJPZXUUNGLNFW-IUODEOHRSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
CID 63362415
3,3-dimethyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66074558
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
N-methyl-N-(oxan-2-ylmethyl)-4-propylpiperidine-4-carboxamide
CID 63129141
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600754
8-[2-(oxolan-2-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47211168
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
CID 120805402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one (CID 129400303) is (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one is CCC[C@]1(C)C(=O)NCCN1C(=O)C[C@H]1CCCCO1.
What is the InChIKey of (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one?
The InChIKey is GPJPZXUUNGLNFW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-7-15(2)14(19)16-8-9-17(15)13(18)11-12-6-4-5-10-20-12/h12H,3-11H2,1-2H3,(H,16,19)/t12-,15-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one?
(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one is sourced from PubChem (CID 129400303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).