1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide

C18H26N2O6 — CID 71907359

IUPAC1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)O)cc(OC)c1OCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H26N2O6/c1-11(21)13-7-14(24-2)17(15(8-13)25-3)26-10-16(22)20-6-4-5-12(9-20)18(19)23/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H2,19,23)
InChIKeyYKUCSPZUETUVAZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP0.86
Rot. Bonds7

About 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide

1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide (PubChem CID 71907359) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide
PubChem CID71907359
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)O)cc(OC)c1OCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H26N2O6/c1-11(21)13-7-14(24-2)17(15(8-13)25-3)26-10-16(22)20-6-4-5-12(9-20)18(19)23/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H2,19,23)
InChIKeyYKUCSPZUETUVAZ-UHFFFAOYSA-N
XLogP0.86
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 9201496
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 9287886
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879874
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
CID 172675159

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide (CID 71907359) is 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide is COc1cc(C(C)O)cc(OC)c1OCC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide?
The InChIKey is YKUCSPZUETUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-11(21)13-7-14(24-2)17(15(8-13)25-3)26-10-16(22)20-6-4-5-12(9-20)18(19)23/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H2,19,23).
What are the key properties of 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide?
1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 71907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).