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

C26H33N3O5 — CID 3227076

IUPAC2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1
InChIInChI=1S/C26H33N3O5/c1-17-5-7-20(8-6-17)26(32)29-11-9-21(10-12-29)28-25(31)24(27-18(2)30)15-19-13-22(33-3)16-23(14-19)34-4/h5-8,13-14,16,21,24H,9-12,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyPAAUNGAKZSVDBN-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.48
Rot. Bonds8

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

2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide (PubChem CID 3227076) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
PubChem CID3227076
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1
InChIInChI=1S/C26H33N3O5/c1-17-5-7-20(8-6-17)26(32)29-11-9-21(10-12-29)28-25(31)24(27-18(2)30)15-19-13-22(33-3)16-23(14-19)34-4/h5-8,13-14,16,21,24H,9-12,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyPAAUNGAKZSVDBN-UHFFFAOYSA-N
XLogP2.48
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 98114273
[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 95127122
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide (CID 3227076) is 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide is COc1cc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1.
What is the InChIKey of 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The InChIKey is PAAUNGAKZSVDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-17-5-7-20(8-6-17)26(32)29-11-9-21(10-12-29)28-25(31)24(27-18(2)30)15-19-13-22(33-3)16-23(14-19)34-4/h5-8,13-14,16,21,24H,9-12,15H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide has a molecular weight of 467.57 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3227076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).