2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide

C16H22N2O4 — CID 72902558

IUPAC2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
SMILESC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)CC[C@]1(C)O
InChIInChI=1S/C16H22N2O4/c1-11-9-18(7-6-16(11,2)21)15(20)12-4-3-5-13(8-12)22-10-14(17)19/h3-5,8,11,21H,6-7,9-10H2,1-2H3,(H2,17,19)/t11-,16+/m1/s1
InChIKeySSRMLLVWSQAJTQ-BZNIZROVSA-N
MW306.36 g/mol
LogP0.78
Rot. Bonds4

About 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide

2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 72902558) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
PubChem CID72902558
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
SMILESC[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)CC[C@]1(C)O
InChIInChI=1S/C16H22N2O4/c1-11-9-18(7-6-16(11,2)21)15(20)12-4-3-5-13(8-12)22-10-14(17)19/h3-5,8,11,21H,6-7,9-10H2,1-2H3,(H2,17,19)/t11-,16+/m1/s1
InChIKeySSRMLLVWSQAJTQ-BZNIZROVSA-N
XLogP0.78
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403
2-(3-chloro-4-fluorophenoxy)-1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]ethanone
CID 72863341
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
2-[3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 135096071

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide (CID 72902558) is 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide is C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)CC[C@]1(C)O.
What is the InChIKey of 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is SSRMLLVWSQAJTQ-BZNIZROVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-18(7-6-16(11,2)21)15(20)12-4-3-5-13(8-12)22-10-14(17)19/h3-5,8,11,21H,6-7,9-10H2,1-2H3,(H2,17,19)/t11-,16+/m1/s1.
What are the key properties of 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide?
2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 306.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 72902558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).