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

C27H35N3O6 — CID 646596

IUPAC2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3C)NC(C)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O6/c1-17-8-6-7-9-19(17)14-22(28-18(2)31)26(32)29-21-10-12-30(13-11-21)27(33)20-15-23(34-3)25(36-5)24(16-20)35-4/h6-9,15-16,21-22H,10-14H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyMNGDNPIWIWVGMA-UHFFFAOYSA-N
MW497.59 g/mol
LogP2.49
Rot. Bonds9

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

2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 646596) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID646596
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3C)NC(C)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O6/c1-17-8-6-7-9-19(17)14-22(28-18(2)31)26(32)29-21-10-12-30(13-11-21)27(33)20-15-23(34-3)25(36-5)24(16-20)35-4/h6-9,15-16,21-22H,10-14H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyMNGDNPIWIWVGMA-UHFFFAOYSA-N
XLogP2.49
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 98114273
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6487353
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
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 7405247
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (CID 646596) is 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3C)NC(C)=O)CC2)cc(OC)c1OC.
What is the InChIKey of 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is MNGDNPIWIWVGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-17-8-6-7-9-19(17)14-22(28-18(2)31)26(32)29-21-10-12-30(13-11-21)27(33)20-15-23(34-3)25(36-5)24(16-20)35-4/h6-9,15-16,21-22H,10-14H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 497.59 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 646596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).