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

C19H28N2O2 — CID 47984504

IUPACN-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1C
InChIInChI=1S/C19H28N2O2/c1-13-8-9-16(11-14(13)2)20-17(22)15-7-6-10-21(12-15)18(23)19(3,4)5/h8-9,11,15H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyBXBKSOVNQDYTIL-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.53
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 47984504) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID47984504
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1C
InChIInChI=1S/C19H28N2O2/c1-13-8-9-16(11-14(13)2)20-17(22)15-7-6-10-21(12-15)18(23)19(3,4)5/h8-9,11,15H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyBXBKSOVNQDYTIL-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
N-(3,5-difluoro-4-iodophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 60610834
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
2-[[4-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetic acid
CID 119220485
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 47984504) is N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is BXBKSOVNQDYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-8-9-16(11-14(13)2)20-17(22)15-7-6-10-21(12-15)18(23)19(3,4)5/h8-9,11,15H,6-7,10,12H2,1-5H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47984504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).