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

C29H44N4O3 — CID 130200949

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-30(2)29(24-10-4-3-5-11-24)16-14-28(15-17-29)22-32(27(36)33(28)20-23-8-6-9-23)19-13-26(35)31-18-7-12-25(34)21-31/h3-5,10-11,23,25,34H,6-9,12-22H2,1-2H3
InChIKeyURBNKOSKXPPQNF-UHFFFAOYSA-N
MW496.70 g/mol
LogP3.67
Rot. Bonds7

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200949) has the molecular formula C29H44N4O3 and a molecular weight of 496.70 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200949
Molecular FormulaC29H44N4O3
Molecular Weight496.70 g/mol
Exact Mass496.34
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-30(2)29(24-10-4-3-5-11-24)16-14-28(15-17-29)22-32(27(36)33(28)20-23-8-6-9-23)19-13-26(35)31-18-7-12-25(34)21-31/h3-5,10-11,23,25,34H,6-9,12-22H2,1-2H3
InChIKeyURBNKOSKXPPQNF-UHFFFAOYSA-N
XLogP3.67
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1359
CID 130200636
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1003
CID 130200528
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1019
CID 130200564
CIS-2-[8-Dimethylamino-1-(3-methoxy-propyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxy-cyclobutyl)-methyl]-acetamide
CID 130200565
US10807989, Example SC_1062
CID 130200577
US10807989, Example SC_1347
CID 130200634
US10807989, Example SC_1350
CID 130200638

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200949) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is URBNKOSKXPPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O3/c1-30(2)29(24-10-4-3-5-11-24)16-14-28(15-17-29)22-32(27(36)33(28)20-23-8-6-9-23)19-13-26(35)31-18-7-12-25(34)21-31/h3-5,10-11,23,25,34H,6-9,12-22H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 496.70 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).