2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one

C24H33NO2 — CID 167704899

IUPAC2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
SMILESCC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)C4)C3)CC2)cc1
InChIInChI=1S/C24H33NO2/c1-23(2,3)20-6-4-17(5-7-20)18-9-12-25(13-10-18)22(27)19-14-24(15-19)11-8-21(26)16-24/h4-7,18-19H,8-16H2,1-3H3
InChIKeyYYKQUJWUOMGEHW-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.84
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one

2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one (PubChem CID 167704899) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
PubChem CID167704899
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
SMILESCC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)C4)C3)CC2)cc1
InChIInChI=1S/C24H33NO2/c1-23(2,3)20-6-4-17(5-7-20)18-9-12-25(13-10-18)22(27)19-14-24(15-19)11-8-21(26)16-24/h4-7,18-19H,8-16H2,1-3H3
InChIKeyYYKQUJWUOMGEHW-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
2-[(3R,4R)-4-(4-tert-butylphenyl)-3-methylpiperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167671336
methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167622480
[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 154798533
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864450
2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167645136
cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
CID 176576901
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one?
The IUPAC name of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one (CID 167704899) is 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one is CC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)C4)C3)CC2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one?
The InChIKey is YYKQUJWUOMGEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-23(2,3)20-6-4-17(5-7-20)18-9-12-25(13-10-18)22(27)19-14-24(15-19)11-8-21(26)16-24/h4-7,18-19H,8-16H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one?
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one has a molecular weight of 367.53 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one is sourced from PubChem (CID 167704899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).