N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide

C16H22N2O3 — CID 107394432

IUPACN-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
SMILESCOC1(C)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-6-4-7-14(10-13)17-15(20)18-9-5-8-16(2,11-18)21-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,20)
InChIKeyQLELUYSZAPZNFY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.92
Rot. Bonds3

About N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide

N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide (PubChem CID 107394432) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
PubChem CID107394432
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
SMILESCOC1(C)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-6-4-7-14(10-13)17-15(20)18-9-5-8-16(2,11-18)21-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,20)
InChIKeyQLELUYSZAPZNFY-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 107393911
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
ethyl (3S)-1-[(3-acetylphenyl)carbamoyl]-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
CID 25367651
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide (CID 107394432) is N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide is COC1(C)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1.
What is the InChIKey of N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide?
The InChIKey is QLELUYSZAPZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)13-6-4-7-14(10-13)17-15(20)18-9-5-8-16(2,11-18)21-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide?
N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107394432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).