5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

C23H28N2O3 — CID 56915916

IUPAC5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1
InChIInChI=1S/C23H28N2O3/c1-15-12-20(26)19(13-24-15)22(28)25-11-5-6-17(14-25)21(27)16-7-9-18(10-8-16)23(2,3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyXCBABRPDFKMXSE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.72
Rot. Bonds3

About 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 56915916) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID56915916
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1
InChIInChI=1S/C23H28N2O3/c1-15-12-20(26)19(13-24-15)22(28)25-11-5-6-17(14-25)21(27)16-7-9-18(10-8-16)23(2,3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyXCBABRPDFKMXSE-UHFFFAOYSA-N
XLogP3.72
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 103717650
4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45232640
5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 127944288
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 56915916) is 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1.
What is the InChIKey of 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is XCBABRPDFKMXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-12-20(26)19(13-24-15)22(28)25-11-5-6-17(14-25)21(27)16-7-9-18(10-8-16)23(2,3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,24,26).
What are the key properties of 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 380.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 56915916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).