1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide

C23H29N3O3 — CID 55767556

IUPAC1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)22(29)25-14-11-18(12-15-25)21(28)24-19-9-7-17(8-10-19)16-26-13-5-4-6-20(26)27/h4-10,13,18H,11-12,14-16H2,1-3H3,(H,24,28)
InChIKeyVJNIJYGXSJXMQQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 55767556) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide
PubChem CID55767556
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)22(29)25-14-11-18(12-15-25)21(28)24-19-9-7-17(8-10-19)16-26-13-5-4-6-20(26)27/h4-10,13,18H,11-12,14-16H2,1-3H3,(H,24,28)
InChIKeyVJNIJYGXSJXMQQ-UHFFFAOYSA-N
XLogP3.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 169109303
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide (CID 55767556) is 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is VJNIJYGXSJXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-23(2,3)22(29)25-14-11-18(12-15-25)21(28)24-19-9-7-17(8-10-19)16-26-13-5-4-6-20(26)27/h4-10,13,18H,11-12,14-16H2,1-3H3,(H,24,28).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55767556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).