N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C19H27N3O3 — CID 33249573

IUPACN-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-13(2)18(24)22-10-8-14(9-11-22)17(23)20-16-7-5-6-15(12-16)19(25)21(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,20,23)
InChIKeyZGLJRRWGONRPLW-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 33249573) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID33249573
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-13(2)18(24)22-10-8-14(9-11-22)17(23)20-16-7-5-6-15(12-16)19(25)21(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,20,23)
InChIKeyZGLJRRWGONRPLW-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 55779526
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 33249573) is N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ZGLJRRWGONRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)18(24)22-10-8-14(9-11-22)17(23)20-16-7-5-6-15(12-16)19(25)21(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,20,23).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 33249573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).