[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone

C23H27NO2 — CID 2740739

IUPAC[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO2/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-15-13-18(14-16-24)21(25)17-7-5-4-6-8-17/h4-12,18H,13-16H2,1-3H3
InChIKeyLOUVUGFEHGEXFP-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.72
Rot. Bonds3

About [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone

[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 2740739) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID2740739
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO2/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-15-13-18(14-16-24)21(25)17-7-5-4-6-8-17/h4-12,18H,13-16H2,1-3H3
InChIKeyLOUVUGFEHGEXFP-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone (CID 2740739) is [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is LOUVUGFEHGEXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-15-13-18(14-16-24)21(25)17-7-5-4-6-8-17/h4-12,18H,13-16H2,1-3H3.
What are the key properties of [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 349.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylbenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 2740739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).