1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C24H29N3O5 — CID 42920354

IUPAC1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1
InChIInChI=1S/C24H29N3O5/c1-16(28)25-21(17-7-9-19(32-2)10-8-17)15-23(30)27-13-11-18(12-14-27)24(31)26-20-5-3-4-6-22(20)29/h3-10,18,21,29H,11-15H2,1-2H3,(H,25,28)(H,26,31)
InChIKeyGNPLXZVMKYGCMI-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.85
Rot. Bonds7

About 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 42920354) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID42920354
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1
InChIInChI=1S/C24H29N3O5/c1-16(28)25-21(17-7-9-19(32-2)10-8-17)15-23(30)27-13-11-18(12-14-27)24(31)26-20-5-3-4-6-22(20)29/h3-10,18,21,29H,11-15H2,1-2H3,(H,25,28)(H,26,31)
InChIKeyGNPLXZVMKYGCMI-UHFFFAOYSA-N
XLogP2.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 42920354) is 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is COc1ccc(C(CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1.
What is the InChIKey of 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is GNPLXZVMKYGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16(28)25-21(17-7-9-19(32-2)10-8-17)15-23(30)27-13-11-18(12-14-27)24(31)26-20-5-3-4-6-22(20)29/h3-10,18,21,29H,11-15H2,1-2H3,(H,25,28)(H,26,31).
What are the key properties of 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 42920354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).