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

C22H31N3O5 — CID 6490067

IUPAC2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C22H31N3O5/c1-14(26)23-19(13-16-12-18(29-2)6-7-20(16)30-3)21(27)24-17-8-10-25(11-9-17)22(28)15-4-5-15/h6-7,12,15,17,19H,4-5,8-11,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDNRBJKUQUBHFFR-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.27
Rot. Bonds8

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

2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 6490067) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID6490067
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C22H31N3O5/c1-14(26)23-19(13-16-12-18(29-2)6-7-20(16)30-3)21(27)24-17-8-10-25(11-9-17)22(28)15-4-5-15/h6-7,12,15,17,19H,4-5,8-11,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDNRBJKUQUBHFFR-UHFFFAOYSA-N
XLogP1.27
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 98114273
(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
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 6490056
2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
CID 93473311
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
CID 155900097
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6487353
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide (CID 6490067) is 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is DNRBJKUQUBHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14(26)23-19(13-16-12-18(29-2)6-7-20(16)30-3)21(27)24-17-8-10-25(11-9-17)22(28)15-4-5-15/h6-7,12,15,17,19H,4-5,8-11,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide?
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 6490067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).