N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide

C17H23N3O4 — CID 43004509

IUPACN-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H23N3O4/c1-11(21)18-14-4-5-16(24-3)15(10-14)19-17(23)13-6-8-20(9-7-13)12(2)22/h4-5,10,13H,6-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyDOCASCKBIGPJMR-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.85
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide (PubChem CID 43004509) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
PubChem CID43004509
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H23N3O4/c1-11(21)18-14-4-5-16(24-3)15(10-14)19-17(23)13-6-8-20(9-7-13)12(2)22/h4-5,10,13H,6-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyDOCASCKBIGPJMR-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
CID 110792941
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide (CID 43004509) is N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide?
The InChIKey is DOCASCKBIGPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(21)18-14-4-5-16(24-3)15(10-14)19-17(23)13-6-8-20(9-7-13)12(2)22/h4-5,10,13H,6-9H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide is sourced from PubChem (CID 43004509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).