(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

C28H37N3O8 — CID 98114273

IUPAC(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C28H37N3O8/c1-17(32)29-22(14-18-13-21(35-2)7-8-23(18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,13,15-16,20,22H,9-12,14H2,1-6H3,(H,29,32)(H,30,33)/t22-/m1/s1
InChIKeyGALNMQWZYSKOKF-JOCHJYFZSA-N
MW543.62 g/mol
LogP2.20
Rot. Bonds11

About (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 98114273) has the molecular formula C28H37N3O8 and a molecular weight of 543.62 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID98114273
Molecular FormulaC28H37N3O8
Molecular Weight543.62 g/mol
Exact Mass543.26
IUPAC Name(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C28H37N3O8/c1-17(32)29-22(14-18-13-21(35-2)7-8-23(18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,13,15-16,20,22H,9-12,14H2,1-6H3,(H,29,32)(H,30,33)/t22-/m1/s1
InChIKeyGALNMQWZYSKOKF-JOCHJYFZSA-N
XLogP2.20
TPSA124.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide with MolForge

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Related Compounds

2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 6490056
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
CID 93473311
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (CID 98114273) is (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1.
What is the InChIKey of (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is GALNMQWZYSKOKF-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H37N3O8/c1-17(32)29-22(14-18-13-21(35-2)7-8-23(18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,13,15-16,20,22H,9-12,14H2,1-6H3,(H,29,32)(H,30,33)/t22-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 543.62 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 98114273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).