8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C21H28N2O3 — CID 131686090

IUPAC8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCN(C(=O)C4CC(O)C4)CC3)C2=O)c1
InChIInChI=1S/C21H28N2O3/c1-15-3-2-4-16(11-15)14-23-10-7-21(20(23)26)5-8-22(9-6-21)19(25)17-12-18(24)13-17/h2-4,11,17-18,24H,5-10,12-14H2,1H3
InChIKeyWLBCAQGPJIHGHT-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.11
Rot. Bonds3

About 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131686090) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131686090
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCN(C(=O)C4CC(O)C4)CC3)C2=O)c1
InChIInChI=1S/C21H28N2O3/c1-15-3-2-4-16(11-15)14-23-10-7-21(20(23)26)5-8-22(9-6-21)19(25)17-12-18(24)13-17/h2-4,11,17-18,24H,5-10,12-14H2,1H3
InChIKeyWLBCAQGPJIHGHT-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 155872705
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620
(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451541
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
(5R)-N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 25447593
N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45222420

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 131686090) is 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCN(C(=O)C4CC(O)C4)CC3)C2=O)c1.
What is the InChIKey of 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WLBCAQGPJIHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-3-2-4-16(11-15)14-23-10-7-21(20(23)26)5-8-22(9-6-21)19(25)17-12-18(24)13-17/h2-4,11,17-18,24H,5-10,12-14H2,1H3.
What are the key properties of 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).