N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide

C17H25N3O3 — CID 131939950

IUPACN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C)C2)cc1C(=O)N(C)C
InChIInChI=1S/C17H25N3O3/c1-19(2)17(22)14-10-13(7-8-15(14)23-4)18-16(21)12-6-5-9-20(3)11-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,21)
InChIKeyLQSNDNOGTSPHOO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.68
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide

N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 131939950) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
PubChem CID131939950
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C)C2)cc1C(=O)N(C)C
InChIInChI=1S/C17H25N3O3/c1-19(2)17(22)14-10-13(7-8-15(14)23-4)18-16(21)12-6-5-9-20(3)11-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,21)
InChIKeyLQSNDNOGTSPHOO-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutanecarbonylamino)-2-methoxy-N,N-dimethylbenzamide
CID 131935340
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide (CID 131939950) is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C)C2)cc1C(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is LQSNDNOGTSPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19(2)17(22)14-10-13(7-8-15(14)23-4)18-16(21)12-6-5-9-20(3)11-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide?
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 131939950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).