8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H37N5O3 — CID 159224014

IUPAC8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H37N5O3/c1-30(2)27(22-8-5-4-6-9-22)13-11-26(12-14-27)20-31(25(34)32(26)16-7-17-35-3)19-24(33)18-23-10-15-28-21-29-23/h4-6,8-10,15,21H,7,11-14,16-20H2,1-3H3
InChIKeyUCWYFNLCJYQOTE-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.13
Rot. Bonds10

About 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159224014) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID159224014
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H37N5O3/c1-30(2)27(22-8-5-4-6-9-22)13-11-26(12-14-27)20-31(25(34)32(26)16-7-17-35-3)19-24(33)18-23-10-15-28-21-29-23/h4-6,8-10,15,21H,7,11-14,16-20H2,1-3H3
InChIKeyUCWYFNLCJYQOTE-UHFFFAOYSA-N
XLogP3.13
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide
CID 138514705
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351
2-[8-(dimethylamino)-2-oxo-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;hydrochloride
CID 130200787
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-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200736
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-methyl-4-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453342
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162160029
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453344
2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 130209737

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 159224014) is 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UCWYFNLCJYQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-30(2)27(22-8-5-4-6-9-22)13-11-26(12-14-27)20-31(25(34)32(26)16-7-17-35-3)19-24(33)18-23-10-15-28-21-29-23/h4-6,8-10,15,21H,7,11-14,16-20H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 479.63 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159224014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).