8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C20H31N3O2 — CID 130200736

IUPAC8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCN1C(=O)NCC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C20H31N3O2/c1-22(2)20(17-8-5-4-6-9-17)12-10-19(11-13-20)16-21-18(24)23(19)14-7-15-25-3/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,24)
InChIKeyUMNBKYXXMOXLCV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.82
Rot. Bonds6

About 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200736) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200736
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCN1C(=O)NCC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C20H31N3O2/c1-22(2)20(17-8-5-4-6-9-17)12-10-19(11-13-20)16-21-18(24)23(19)14-7-15-25-3/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,24)
InChIKeyUMNBKYXXMOXLCV-UHFFFAOYSA-N
XLogP2.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide
CID 130229822
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide
CID 138514705
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159224014
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-methylidene-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 155200071
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162216107
2-[8-(dimethylamino)-2-oxo-8-[3-(2,2,2-trifluoroacetyl)oxyphenyl]-1,3-diazaspiro[4.5]decan-1-yl]acetic acid
CID 155215215
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159230550
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol
CID 130222936
2-[8-(dimethylamino)-2-oxo-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;hydrochloride
CID 130200787

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200736) is 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCN1C(=O)NCC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UMNBKYXXMOXLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(2)20(17-8-5-4-6-9-17)12-10-19(11-13-20)16-21-18(24)23(19)14-7-15-25-3/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,24).
What are the key properties of 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 345.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).