1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H40N4O3 — CID 130200663

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H40N4O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22/h3-5,9-10,22H,6-8,11-21H2,1-2H3
InChIKeyHSSOIHCDMVNEPF-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.15
Rot. Bonds6

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200663) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200663
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H40N4O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22/h3-5,9-10,22H,6-8,11-21H2,1-2H3
InChIKeyHSSOIHCDMVNEPF-UHFFFAOYSA-N
XLogP3.15
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.15
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-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200663) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HSSOIHCDMVNEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22/h3-5,9-10,22H,6-8,11-21H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 468.64 g/mol, XLogP of 3.15, 6 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-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).