(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone

C19H25NO3 — CID 131690314

IUPAC(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCC3(CC2)CC(OC)C3)cc1
InChIInChI=1S/C19H25NO3/c1-3-12-23-16-6-4-15(5-7-16)18(21)20-10-8-19(9-11-20)13-17(14-19)22-2/h3-7,17H,1,8-14H2,2H3
InChIKeyMAHFPCUEZXNVBD-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.28
Rot. Bonds5

About (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone

(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone (PubChem CID 131690314) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
PubChem CID131690314
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCC3(CC2)CC(OC)C3)cc1
InChIInChI=1S/C19H25NO3/c1-3-12-23-16-6-4-15(5-7-16)18(21)20-10-8-19(9-11-20)13-17(14-19)22-2/h3-7,17H,1,8-14H2,2H3
InChIKeyMAHFPCUEZXNVBD-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55588569
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
(7-ethyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-prop-2-enoxyphenyl)methanone
CID 131687861
3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide
CID 155878936
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
[3-(1-aminoethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119596081
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone?
The IUPAC name of (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone (CID 131690314) is (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)N2CCC3(CC2)CC(OC)C3)cc1.
What is the InChIKey of (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone?
The InChIKey is MAHFPCUEZXNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-12-23-16-6-4-15(5-7-16)18(21)20-10-8-19(9-11-20)13-17(14-19)22-2/h3-7,17H,1,8-14H2,2H3.
What are the key properties of (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone?
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone has a molecular weight of 315.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 131690314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).