2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide

C22H26N2O4 — CID 126437358

IUPAC2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3CO)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-23-21(26)15-28-20-10-8-16(9-11-20)17-5-4-6-18(13-17)22(27)24-12-3-2-7-19(24)14-25/h4-6,8-11,13,19,25H,2-3,7,12,14-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYCKJDJCAMBGRAO-IBGZPJMESA-N
MW382.46 g/mol
LogP2.47
Rot. Bonds6

About 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide

2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide (PubChem CID 126437358) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide
PubChem CID126437358
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3CO)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-23-21(26)15-28-20-10-8-16(9-11-20)17-5-4-6-18(13-17)22(27)24-12-3-2-7-19(24)14-25/h4-6,8-11,13,19,25H,2-3,7,12,14-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYCKJDJCAMBGRAO-IBGZPJMESA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
CID 126430068
[2-(hydroxymethyl)piperidin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 46986550
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
CID 121497725
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
3-[2-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 61407355
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide (CID 126437358) is 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3CO)c2)cc1.
What is the InChIKey of 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide?
The InChIKey is YCKJDJCAMBGRAO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-21(26)15-28-20-10-8-16(9-11-20)17-5-4-6-18(13-17)22(27)24-12-3-2-7-19(24)14-25/h4-6,8-11,13,19,25H,2-3,7,12,14-15H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide?
2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide has a molecular weight of 382.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 126437358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).