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

C26H33N3O6 — CID 652749

IUPAC2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C26H33N3O6/c1-17(30)27-21(14-18-8-6-5-7-9-18)25(31)28-20-10-12-29(13-11-20)26(32)19-15-22(33-2)24(35-4)23(16-19)34-3/h5-9,15-16,20-21H,10-14H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyCXLYWVWLNDGNIU-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.18
Rot. Bonds9

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

2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 652749) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID652749
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C26H33N3O6/c1-17(30)27-21(14-18-8-6-5-7-9-18)25(31)28-20-10-12-29(13-11-20)26(32)19-15-22(33-2)24(35-4)23(16-19)34-3/h5-9,15-16,20-21H,10-14H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyCXLYWVWLNDGNIU-UHFFFAOYSA-N
XLogP2.18
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 98114273
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
(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
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51728586

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (CID 652749) is 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC.
What is the InChIKey of 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is CXLYWVWLNDGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-17(30)27-21(14-18-8-6-5-7-9-18)25(31)28-20-10-12-29(13-11-20)26(32)19-15-22(33-2)24(35-4)23(16-19)34-3/h5-9,15-16,20-21H,10-14H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 483.57 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 652749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).