(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide

C22H36N4O5 — CID 10550993

IUPAC(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide
SMILESCN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)[14C](=O)C1(C)C
InChIInChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1/i20+2
InChIKeyGFUITADOEPNRML-QPEJBIBOSA-N
MW438.55 g/mol
LogP1.99
Rot. Bonds7

About (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide

(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide (PubChem CID 10550993) has the molecular formula C22H36N4O5 and a molecular weight of 438.55 g/mol. Its IUPAC name is (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide
PubChem CID10550993
Molecular FormulaC22H36N4O5
Molecular Weight438.55 g/mol
Exact Mass438.27
IUPAC Name(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide
SMILESCN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)[14C](=O)C1(C)C
InChIInChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1/i20+2
InChIKeyGFUITADOEPNRML-QPEJBIBOSA-N
XLogP1.99
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 51.99
H-Bond Donors ≤ 52
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'}

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Related Compounds

(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
(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide
CID 89240937
[[(2R,3R)-3-(cyclopentylmethyl)-4-oxo-4-(2,3,4,5,6-pentadeuteriopiperidin-1-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoyl]amino] benzoate
CID 10840302
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]-4-oxo-4-piperidin-1-ylbutanamide
CID 54323980
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 68633970

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide?
The IUPAC name of (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide (CID 10550993) is (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide.
What is the SMILES notation for (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide?
The canonical SMILES for (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide is CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)[14C](=O)C1(C)C.
What is the InChIKey of (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide?
The InChIKey is GFUITADOEPNRML-QPEJBIBOSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1/i20+2.
What are the key properties of (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide?
(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide has a molecular weight of 438.55 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxo-(514C)1,3-diazolidin-1-yl)methyl]butanamide is sourced from PubChem (CID 10550993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).