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

C25H37N3O5 — CID 6490056

IUPAC2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1OC
InChIInChI=1S/C25H37N3O5/c1-17(29)26-21(16-19-10-7-11-22(32-2)23(19)33-3)24(30)27-20-12-14-28(15-13-20)25(31)18-8-5-4-6-9-18/h7,10-11,18,20-21H,4-6,8-9,12-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyFXNXLQNZMTZFEX-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.44
Rot. Bonds8

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

2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 6490056) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID6490056
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1OC
InChIInChI=1S/C25H37N3O5/c1-17(29)26-21(16-19-10-7-11-22(32-2)23(19)33-3)24(30)27-20-12-14-28(15-13-20)25(31)18-8-5-4-6-9-18/h7,10-11,18,20-21H,4-6,8-9,12-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyFXNXLQNZMTZFEX-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
(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-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782
methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate
CID 3231798
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
CID 155900097
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
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6487353

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide (CID 6490056) is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1OC.
What is the InChIKey of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is FXNXLQNZMTZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-17(29)26-21(16-19-10-7-11-22(32-2)23(19)33-3)24(30)27-20-12-14-28(15-13-20)25(31)18-8-5-4-6-9-18/h7,10-11,18,20-21H,4-6,8-9,12-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide?
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 459.59 g/mol, XLogP of 2.44, 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-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 6490056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).