1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone

C24H29NO2 — CID 159352766

IUPAC1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H29NO2/c1-17(26)18-9-11-20(12-10-18)23(27)25-15-13-19(14-16-25)21-7-5-6-8-22(21)24(2,3)4/h5-12,19H,13-16H2,1-4H3
InChIKeyOLVOBIXSVNJTBI-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.21
Rot. Bonds3

About 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone

1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 159352766) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone
PubChem CID159352766
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H29NO2/c1-17(26)18-9-11-20(12-10-18)23(27)25-15-13-19(14-16-25)21-7-5-6-8-22(21)24(2,3)4/h5-12,19H,13-16H2,1-4H3
InChIKeyOLVOBIXSVNJTBI-UHFFFAOYSA-N
XLogP5.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
[4-(2-tert-butylphenyl)piperidin-1-yl]-(1-methylidene-1-oxothiolan-2-yl)methanone
CID 158244469
2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
CID 146089966
1-[1-(4-acetylbenzoyl)pyrrolidin-3-yl]ethanone
CID 166872082
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
ethane;1-[4-[1-[5-(trifluoromethyl)naphthalene-1-carbonyl]piperidin-4-yl]phenyl]ethanone
CID 176576308
1-[4-[3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 74804665
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 86268340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone (CID 159352766) is 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is OLVOBIXSVNJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17(26)18-9-11-20(12-10-18)23(27)25-15-13-19(14-16-25)21-7-5-6-8-22(21)24(2,3)4/h5-12,19H,13-16H2,1-4H3.
What are the key properties of 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone?
1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 363.50 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 159352766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).