(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone

C22H24N2O3 — CID 134792224

IUPAC(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-20-10-8-18(9-11-20)21(25)24-13-5-12-22(16-24)15-19(23-27-22)14-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3
InChIKeyPGPWCIITXDPVLQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.69
Rot. Bonds4

About (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone

(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone (PubChem CID 134792224) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone
PubChem CID134792224
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-20-10-8-18(9-11-20)21(25)24-13-5-12-22(16-24)15-19(23-27-22)14-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3
InChIKeyPGPWCIITXDPVLQ-UHFFFAOYSA-N
XLogP3.69
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
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[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784
(2,6-Dimethylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 4883241
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-methoxy-phenyl)-methanone
CID 1438038
Piperidine, 1-(4-methoxybenzoyl)-
CID 93775
[4-(4-Methoxy-benzoyl)-piperidin-1-yl]-p-tolyl-methanone
CID 1437821
(4-methoxyphenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484235
(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3232882
(2-Benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone
CID 3233861

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone (CID 134792224) is (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1.
What is the InChIKey of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone?
The InChIKey is PGPWCIITXDPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-20-10-8-18(9-11-20)21(25)24-13-5-12-22(16-24)15-19(23-27-22)14-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3.
What are the key properties of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone?
(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone has a molecular weight of 364.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134792224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).