2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

C23H32N2O2 — CID 156864450

IUPAC2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCCC(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-3-16(2)17-4-6-18(7-5-17)19-9-12-25(13-10-19)22(27)20-14-23(15-20)11-8-21(26)24-23/h4-7,16,19-20H,3,8-15H2,1-2H3,(H,24,26)
InChIKeyQXOPCPMFTUQBGI-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.96
Rot. Bonds4

About 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156864450) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156864450
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCCC(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-3-16(2)17-4-6-18(7-5-17)19-9-12-25(13-10-19)22(27)20-14-23(15-20)11-8-21(26)24-23/h4-7,16,19-20H,3,8-15H2,1-2H3,(H,24,26)
InChIKeyQXOPCPMFTUQBGI-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one with MolForge

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Related Compounds

2-[4-(3-ethyl-4-fluorophenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864285
2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864623
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
2-[4-[1-(4-cyclopropyl-2-fluorophenoxy)ethyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 130475959
2-[4-(3-cyclobutylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163925345
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
CID 167704899
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173688
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156864450) is 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is CCC(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1.
What is the InChIKey of 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is QXOPCPMFTUQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-16(2)17-4-6-18(7-5-17)19-9-12-25(13-10-19)22(27)20-14-23(15-20)11-8-21(26)24-23/h4-7,16,19-20H,3,8-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 368.52 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).