1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H40N4O2 — CID 157453344

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C30H40N4O2/c1-23-12-13-25(19-31-23)18-27(35)21-33-22-29(34(28(33)36)20-24-8-7-9-24)14-16-30(17-15-29,32(2)3)26-10-5-4-6-11-26/h4-6,10-13,19,24H,7-9,14-18,20-22H2,1-3H3
InChIKeyXMMSKCNJYUAVRE-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.81
Rot. Bonds8

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 157453344) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID157453344
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C30H40N4O2/c1-23-12-13-25(19-31-23)18-27(35)21-33-22-29(34(28(33)36)20-24-8-7-9-24)14-16-30(17-15-29,32(2)3)26-10-5-4-6-11-26/h4-6,10-13,19,24H,7-9,14-18,20-22H2,1-3H3
InChIKeyXMMSKCNJYUAVRE-UHFFFAOYSA-N
XLogP4.81
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 157453344) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is Cc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XMMSKCNJYUAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-23-12-13-25(19-31-23)18-27(35)21-33-22-29(34(28(33)36)20-24-8-7-9-24)14-16-30(17-15-29,32(2)3)26-10-5-4-6-11-26/h4-6,10-13,19,24H,7-9,14-18,20-22H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 488.68 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157453344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).