1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H36FN5O2 — CID 162160029

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1F)C(=O)N2CC1CCC1
InChIInChI=1S/C28H36FN5O2/c1-32(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)19-33(26(36)34(27)17-21-7-6-8-21)18-23(35)15-25-24(29)16-30-20-31-25/h3-5,9-10,16,20-21H,6-8,11-15,17-19H2,1-2H3
InChIKeyRIAMXJWARPNODC-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.03
Rot. Bonds8

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 162160029) has the molecular formula C28H36FN5O2 and a molecular weight of 493.63 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID162160029
Molecular FormulaC28H36FN5O2
Molecular Weight493.63 g/mol
Exact Mass493.29
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1F)C(=O)N2CC1CCC1
InChIInChI=1S/C28H36FN5O2/c1-32(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)19-33(26(36)34(27)17-21-7-6-8-21)18-23(35)15-25-24(29)16-30-20-31-25/h3-5,9-10,16,20-21H,6-8,11-15,17-19H2,1-2H3
InChIKeyRIAMXJWARPNODC-UHFFFAOYSA-N
XLogP4.03
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 162160029) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1F)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RIAMXJWARPNODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O2/c1-32(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)19-33(26(36)34(27)17-21-7-6-8-21)18-23(35)15-25-24(29)16-30-20-31-25/h3-5,9-10,16,20-21H,6-8,11-15,17-19H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 493.63 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 162160029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).