2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide

C15H21N3O3 — CID 124589501

IUPAC2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
SMILESC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C)N1
InChIInChI=1S/C15H21N3O3/c1-10-7-18(8-11(2)17-10)15(20)12-4-3-5-13(6-12)21-9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1
InChIKeyMLHWCSZSJHICOR-GHMZBOCLSA-N
MW291.35 g/mol
LogP0.37
Rot. Bonds4

About 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide

2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 124589501) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
PubChem CID124589501
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
SMILESC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C)N1
InChIInChI=1S/C15H21N3O3/c1-10-7-18(8-11(2)17-10)15(20)12-4-3-5-13(6-12)21-9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1
InChIKeyMLHWCSZSJHICOR-GHMZBOCLSA-N
XLogP0.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
CID 72902558
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
2-[3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 135096071
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide (CID 124589501) is 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide is C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C)N1.
What is the InChIKey of 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is MLHWCSZSJHICOR-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-7-18(8-11(2)17-10)15(20)12-4-3-5-13(6-12)21-9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1.
What are the key properties of 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide?
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 124589501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).