(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide

C26H35ClN4O5 — CID 67113808

IUPAC(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCC2(C1)NC(=O)NC2=O)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C26H35ClN4O5/c1-15(2)19(28-20(32)16-9-10-25(13-16)22(34)29-23(35)30-25)21(33)31-12-11-26(36,24(3,4)14-31)17-5-7-18(27)8-6-17/h5-8,15-16,19,36H,9-14H2,1-4H3,(H,28,32)(H2,29,30,34,35)/t16-,19?,25?,26?/m1/s1
InChIKeyHVDYLRWQVDIHNC-VVNIPJDNSA-N
MW519.04 g/mol
LogP2.31
Rot. Bonds5

About (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide

(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide (PubChem CID 67113808) has the molecular formula C26H35ClN4O5 and a molecular weight of 519.04 g/mol. Its IUPAC name is (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide.

Molecular Properties

Compound Name(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
PubChem CID67113808
Molecular FormulaC26H35ClN4O5
Molecular Weight519.04 g/mol
Exact Mass518.23
IUPAC Name(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCC2(C1)NC(=O)NC2=O)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C26H35ClN4O5/c1-15(2)19(28-20(32)16-9-10-25(13-16)22(34)29-23(35)30-25)21(33)31-12-11-26(36,24(3,4)14-31)17-5-7-18(27)8-6-17/h5-8,15-16,19,36H,9-14H2,1-4H3,(H,28,32)(H2,29,30,34,35)/t16-,19?,25?,26?/m1/s1
InChIKeyHVDYLRWQVDIHNC-VVNIPJDNSA-N
XLogP2.31
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.04
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide?
The IUPAC name of (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide (CID 67113808) is (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide.
What is the SMILES notation for (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide?
The canonical SMILES for (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide is CC(C)C(NC(=O)[C@@H]1CCC2(C1)NC(=O)NC2=O)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide?
The InChIKey is HVDYLRWQVDIHNC-VVNIPJDNSA-N. The full InChI is InChI=1S/C26H35ClN4O5/c1-15(2)19(28-20(32)16-9-10-25(13-16)22(34)29-23(35)30-25)21(33)31-12-11-26(36,24(3,4)14-31)17-5-7-18(27)8-6-17/h5-8,15-16,19,36H,9-14H2,1-4H3,(H,28,32)(H2,29,30,34,35)/t16-,19?,25?,26?/m1/s1.
What are the key properties of (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide?
(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide has a molecular weight of 519.04 g/mol, XLogP of 2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide is sourced from PubChem (CID 67113808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).