4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide

C33H52N4O3 — CID 59657490

IUPAC4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)Nc3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C33H52N4O3/c1-5-6-15-28-33(40-31(39)37(28)24-27-13-8-7-9-14-27)18-22-36(23-19-33)32(4)16-20-35(21-17-32)30(38)34-29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3,(H,34,38)
InChIKeySSWLSJVJYNOIBJ-UHFFFAOYSA-N
MW552.80 g/mol
LogP7.12
Rot. Bonds7

About 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide

4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 59657490) has the molecular formula C33H52N4O3 and a molecular weight of 552.80 g/mol. Its IUPAC name is 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
PubChem CID59657490
Molecular FormulaC33H52N4O3
Molecular Weight552.80 g/mol
Exact Mass552.40
IUPAC Name4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)Nc3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C33H52N4O3/c1-5-6-15-28-33(40-31(39)37(28)24-27-13-8-7-9-14-27)18-22-36(23-19-33)32(4)16-20-35(21-17-32)30(38)34-29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3,(H,34,38)
InChIKeySSWLSJVJYNOIBJ-UHFFFAOYSA-N
XLogP7.12
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.80
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide (CID 59657490) is 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide is CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)Nc3c(C)cccc3C)CC1)CC2.
What is the InChIKey of 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is SSWLSJVJYNOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N4O3/c1-5-6-15-28-33(40-31(39)37(28)24-27-13-8-7-9-14-27)18-22-36(23-19-33)32(4)16-20-35(21-17-32)30(38)34-29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3,(H,34,38).
What are the key properties of 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 552.80 g/mol, XLogP of 7.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-butyl-3-(cyclohexylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-N-(2,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59657490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).