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

C26H38N4O3 — CID 130200582

IUPAC1-(cyclopropylmethyl)-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)N2CC1CC1
InChIInChI=1S/C26H38N4O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-25(11-13-26)20-29(24(32)30(25)18-21-8-9-21)19-23(31)28-14-16-33-17-15-28/h3-7,21H,8-20H2,1-2H3
InChIKeyCVNZLNUBZNBZOX-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.76
Rot. Bonds6

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

1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200582) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200582
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name1-(cyclopropylmethyl)-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)N2CC1CC1
InChIInChI=1S/C26H38N4O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-25(11-13-26)20-29(24(32)30(25)18-21-8-9-21)19-23(31)28-14-16-33-17-15-28/h3-7,21H,8-20H2,1-2H3
InChIKeyCVNZLNUBZNBZOX-UHFFFAOYSA-N
XLogP2.76
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1346
CID 130200550
US10807989, Example SC_1359
CID 130200636
US10793528, Example SC_5083
CID 130200861
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1343
CID 130200461
CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide
CID 130200475
US10807989, Example SC_1158
CID 130200486
US10807989, Example SC_1139
CID 130200491
US10807989, Example SC_1175
CID 130200497
US10807989, Example SC_1333
CID 130200500

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200582) is 1-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-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)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is CVNZLNUBZNBZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-25(11-13-26)20-29(24(32)30(25)18-21-8-9-21)19-23(31)28-14-16-33-17-15-28/h3-7,21H,8-20H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 454.62 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).