2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide

C23H28N2O4 — CID 17409629

IUPAC2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1ccc(CCC2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-8-4-17(5-9-20)2-3-18-12-14-25(15-13-18)23(27)19-6-10-21(11-7-19)29-16-22(24)26/h4-11,18H,2-3,12-16H2,1H3,(H2,24,26)
InChIKeyIKLRGALFUOUATE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide

2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 17409629) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID17409629
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1ccc(CCC2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-8-4-17(5-9-20)2-3-18-12-14-25(15-13-18)23(27)19-6-10-21(11-7-19)29-16-22(24)26/h4-11,18H,2-3,12-16H2,1H3,(H2,24,26)
InChIKeyIKLRGALFUOUATE-UHFFFAOYSA-N
XLogP3.04
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-[4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone
CID 55691441
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56813827
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 47017711
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide (CID 17409629) is 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide is COc1ccc(CCC2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is IKLRGALFUOUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-8-4-17(5-9-20)2-3-18-12-14-25(15-13-18)23(27)19-6-10-21(11-7-19)29-16-22(24)26/h4-11,18H,2-3,12-16H2,1H3,(H2,24,26).
What are the key properties of 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide?
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 17409629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).