4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide

C22H36N4O5 — CID 171318047

IUPAC4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
SMILESCN1C(=O)N(CN(O)C(=O)CCCN2CCC[C@H](CC3CCCC3)C2=O)C(=O)C1(C)C
InChIInChI=1S/C22H36N4O5/c1-22(2)20(29)25(21(30)23(22)3)15-26(31)18(27)11-7-13-24-12-6-10-17(19(24)28)14-16-8-4-5-9-16/h16-17,31H,4-15H2,1-3H3/t17-/m1/s1
InChIKeyVIJJVIOOBYUEIS-QGZVFWFLSA-N
MW436.55 g/mol
LogP2.43
Rot. Bonds8

About 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide

4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide (PubChem CID 171318047) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide.

Molecular Properties

Compound Name4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
PubChem CID171318047
Molecular FormulaC22H36N4O5
Molecular Weight436.55 g/mol
Exact Mass436.27
IUPAC Name4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
SMILESCN1C(=O)N(CN(O)C(=O)CCCN2CCC[C@H](CC3CCCC3)C2=O)C(=O)C1(C)C
InChIInChI=1S/C22H36N4O5/c1-22(2)20(29)25(21(30)23(22)3)15-26(31)18(27)11-7-13-24-12-6-10-17(19(24)28)14-16-8-4-5-9-16/h16-17,31H,4-15H2,1-3H3/t17-/m1/s1
InChIKeyVIJJVIOOBYUEIS-QGZVFWFLSA-N
XLogP2.43
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide with MolForge

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Related Compounds

5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
CID 59910648
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
3-hydroxy-1,5,5-trimethylimidazolidine-2,4-dione
CID 18314235
4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
CID 104680132
N-(cyclopentylmethyl)-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 86868528
4-(2-oxo-4-propylazepan-1-yl)butanamide
CID 90159149
4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
CID 63602271
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
CID 91920316
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 46978915
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 134020262
(3R)-3-amino-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 95354967

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The IUPAC name of 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide (CID 171318047) is 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide.
What is the SMILES notation for 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The canonical SMILES for 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide is CN1C(=O)N(CN(O)C(=O)CCCN2CCC[C@H](CC3CCCC3)C2=O)C(=O)C1(C)C.
What is the InChIKey of 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The InChIKey is VIJJVIOOBYUEIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-22(2)20(29)25(21(30)23(22)3)15-26(31)18(27)11-7-13-24-12-6-10-17(19(24)28)14-16-8-4-5-9-16/h16-17,31H,4-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide has a molecular weight of 436.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide is sourced from PubChem (CID 171318047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).