2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide

C18H27N3O3 — CID 48737094

IUPAC2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C18H27N3O3/c1-13(18(23)19-16-7-5-6-8-17(16)24-4)21-11-9-15(10-12-21)20(3)14(2)22/h5-8,13,15H,9-12H2,1-4H3,(H,19,23)
InChIKeyNEZBUBSSDJJHSS-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide

2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 48737094) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID48737094
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C18H27N3O3/c1-13(18(23)19-16-7-5-6-8-17(16)24-4)21-11-9-15(10-12-21)20(3)14(2)22/h5-8,13,15H,9-12H2,1-4H3,(H,19,23)
InChIKeyNEZBUBSSDJJHSS-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
(2S)-N-(2-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 31695880
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 48737094) is 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N1CCC(N(C)C(C)=O)CC1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is NEZBUBSSDJJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(18(23)19-16-7-5-6-8-17(16)24-4)21-11-9-15(10-12-21)20(3)14(2)22/h5-8,13,15H,9-12H2,1-4H3,(H,19,23).
What are the key properties of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide?
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 48737094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).