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

C23H38N4O4 — CID 59910648

IUPAC(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
SMILESCNC(=O)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)[C@@H](CC1CCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C23H38N4O4/c1-23(2)21(30)27(22(31)25(23)4)15-18(19(28)24-3)17(14-16-10-6-7-11-16)20(29)26-12-8-5-9-13-26/h16-18H,5-15H2,1-4H3,(H,24,28)/t17-,18+/m1/s1
InChIKeyMMJAZGCAKSKTJO-MSOLQXFVSA-N
MW434.58 g/mol
LogP2.23
Rot. Bonds7

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

(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide (PubChem CID 59910648) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
PubChem CID59910648
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC Name(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
SMILESCNC(=O)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)[C@@H](CC1CCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C23H38N4O4/c1-23(2)21(30)27(22(31)25(23)4)15-18(19(28)24-3)17(14-16-10-6-7-11-16)20(29)26-12-8-5-9-13-26/h16-18H,5-15H2,1-4H3,(H,24,28)/t17-,18+/m1/s1
InChIKeyMMJAZGCAKSKTJO-MSOLQXFVSA-N
XLogP2.23
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
[[(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
(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
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
(2S)-3-cyclopentyl-5-[5,5-dimethyl-4-(propylcarbamoyl)-1,3-thiazolidin-2-yl]-5-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]pentanoic acid
CID 67650698
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The IUPAC name of (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) is (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide.
What is the SMILES notation for (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The canonical SMILES for (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide is CNC(=O)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)[C@@H](CC1CCCC1)C(=O)N1CCCCC1.
What is the InChIKey of (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
The InChIKey is MMJAZGCAKSKTJO-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-23(2)21(30)27(22(31)25(23)4)15-18(19(28)24-3)17(14-16-10-6-7-11-16)20(29)26-12-8-5-9-13-26/h16-18H,5-15H2,1-4H3,(H,24,28)/t17-,18+/m1/s1.
What are the key properties of (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide?
(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide has a molecular weight of 434.58 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide is sourced from PubChem (CID 59910648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).