1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide

C24H28N2O6 — CID 11996090

IUPAC1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C24H28N2O6/c1-3-17-18(11-21(29)26-10-4-5-15(13-26)24(25)31)22(20(28)12-19(17)27)23(30)14-6-8-16(32-2)9-7-14/h6-9,12,15,27-28H,3-5,10-11,13H2,1-2H3,(H2,25,31)
InChIKeyFOSAHUDNYCIGOU-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.17
Rot. Bonds7

About 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide

1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 11996090) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide
PubChem CID11996090
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C24H28N2O6/c1-3-17-18(11-21(29)26-10-4-5-15(13-26)24(25)31)22(20(28)12-19(17)27)23(30)14-6-8-16(32-2)9-7-14/h6-9,12,15,27-28H,3-5,10-11,13H2,1-2H3,(H2,25,31)
InChIKeyFOSAHUDNYCIGOU-UHFFFAOYSA-N
XLogP2.17
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 23116449
4-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,3-dione
CID 23116282
1-(3-chlorophenyl)-4-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperazin-2-one
CID 23116518
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-butoxybenzoate
CID 9492270
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
CID 172675159
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
CID 99975753

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide (CID 11996090) is 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide is CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is FOSAHUDNYCIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-17-18(11-21(29)26-10-4-5-15(13-26)24(25)31)22(20(28)12-19(17)27)23(30)14-6-8-16(32-2)9-7-14/h6-9,12,15,27-28H,3-5,10-11,13H2,1-2H3,(H2,25,31).
What are the key properties of 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide?
1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 11996090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).