7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C18H26N2O — CID 56887747

IUPAC7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ccc(CN2CCCC3(CCNC3)C2=O)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)16-6-4-15(5-7-16)12-20-11-3-8-18(17(20)21)9-10-19-13-18/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyIBHOUMFYELVWML-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds3

About 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56887747) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56887747
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ccc(CN2CCCC3(CCNC3)C2=O)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)16-6-4-15(5-7-16)12-20-11-3-8-18(17(20)21)9-10-19-13-18/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyIBHOUMFYELVWML-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240
(5R)-2-methylsulfonyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25309135
(5R)-2-(3-methylbutanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42392580
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
4-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperazin-2-one
CID 56743121
(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 42595055
7-[(4-propan-2-ylphenyl)methyl]-2-prop-2-enylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 45222479
2-pent-3-enoyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 171153354
(5S)-2-[(E)-pent-3-enoyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126448713
(3R)-3-(azepan-1-ylmethyl)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95214056
N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 126426677

Frequently Asked Questions

What is the IUPAC name of 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 56887747) is 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1ccc(CN2CCCC3(CCNC3)C2=O)cc1.
What is the InChIKey of 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IBHOUMFYELVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)16-6-4-15(5-7-16)12-20-11-3-8-18(17(20)21)9-10-19-13-18/h4-7,14,19H,3,8-13H2,1-2H3.
What are the key properties of 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 286.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56887747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).