N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C23H29N3O2 — CID 86978864

IUPACN-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)22(28)26-14-12-17(13-15-26)21(27)25-20-11-7-10-19(16-20)24-18-8-5-4-6-9-18/h4-11,16-17,24H,12-15H2,1-3H3,(H,25,27)
InChIKeyBAPGVXRWMGKTRR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.65
Rot. Bonds4

About N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 86978864) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID86978864
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)22(28)26-14-12-17(13-15-26)21(27)25-20-11-7-10-19(16-20)24-18-8-5-4-6-9-18/h4-11,16-17,24H,12-15H2,1-3H3,(H,25,27)
InChIKeyBAPGVXRWMGKTRR-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
CID 51949323
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 86978864) is N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Nc3ccccc3)c2)CC1.
What is the InChIKey of N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is BAPGVXRWMGKTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)22(28)26-14-12-17(13-15-26)21(27)25-20-11-7-10-19(16-20)24-18-8-5-4-6-9-18/h4-11,16-17,24H,12-15H2,1-3H3,(H,25,27).
What are the key properties of N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 86978864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).