2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid

C17H22N2O5 — CID 136552189

IUPAC2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCC(=O)NCC1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-12(20)18-9-13-3-2-8-19(10-13)17(23)14-4-6-15(7-5-14)24-11-16(21)22/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyPZBRKBGDFAFSJB-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.14
Rot. Bonds6

About 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid

2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 136552189) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID136552189
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCC(=O)NCC1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-12(20)18-9-13-3-2-8-19(10-13)17(23)14-4-6-15(7-5-14)24-11-16(21)22/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyPZBRKBGDFAFSJB-UHFFFAOYSA-N
XLogP1.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
N-[[1-[4-(benzylamino)-3-nitrobenzoyl]piperidin-3-yl]methyl]acetamide
CID 86853932
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 119396958
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid (CID 136552189) is 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid is CC(=O)NCC1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is PZBRKBGDFAFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(20)18-9-13-3-2-8-19(10-13)17(23)14-4-6-15(7-5-14)24-11-16(21)22/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid?
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 136552189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).