4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one

C24H32N2O2 — CID 138384851

IUPAC4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(c3cc[nH]c(=O)c3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)21-8-6-19(7-9-21)22(27)5-4-14-26-15-11-18(12-16-26)20-10-13-25-23(28)17-20/h6-10,13,17-18H,4-5,11-12,14-16H2,1-3H3,(H,25,28)
InChIKeyQTNBLQUANLIOSJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.51
Rot. Bonds6

About 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138384851) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138384851
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(c3cc[nH]c(=O)c3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)21-8-6-19(7-9-21)22(27)5-4-14-26-15-11-18(12-16-26)20-10-13-25-23(28)17-20/h6-10,13,17-18H,4-5,11-12,14-16H2,1-3H3,(H,25,28)
InChIKeyQTNBLQUANLIOSJ-UHFFFAOYSA-N
XLogP4.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138384851) is 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one is CC(C)(C)c1ccc(C(=O)CCCN2CCC(c3cc[nH]c(=O)c3)CC2)cc1.
What is the InChIKey of 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is QTNBLQUANLIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)21-8-6-19(7-9-21)22(27)5-4-14-26-15-11-18(12-16-26)20-10-13-25-23(28)17-20/h6-10,13,17-18H,4-5,11-12,14-16H2,1-3H3,(H,25,28).
What are the key properties of 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 380.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138384851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).