(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C15H25N3O3 — CID 124885376

IUPAC(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)C1
InChIInChI=1S/C15H25N3O3/c1-10-6-5-7-17(8-10)11(19)9-18-13(20)12(15(2,3)4)16-14(18)21/h10,12H,5-9H2,1-4H3,(H,16,21)/t10-,12+/m1/s1
InChIKeyPHVOYGCHBWZVKU-PWSUYJOCSA-N
MW295.38 g/mol
LogP1.21
Rot. Bonds2

About (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124885376) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID124885376
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)C1
InChIInChI=1S/C15H25N3O3/c1-10-6-5-7-17(8-10)11(19)9-18-13(20)12(15(2,3)4)16-14(18)21/h10,12H,5-9H2,1-4H3,(H,16,21)/t10-,12+/m1/s1
InChIKeyPHVOYGCHBWZVKU-PWSUYJOCSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(1R,2S,6S,7S)-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 29149257
(1R,2S,6S,7S)-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 29149256
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 95312944
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
(2R)-2-methyl-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1455491
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802337
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264931

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124885376) is (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)C1.
What is the InChIKey of (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is PHVOYGCHBWZVKU-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-6-5-7-17(8-10)11(19)9-18-13(20)12(15(2,3)4)16-14(18)21/h10,12H,5-9H2,1-4H3,(H,16,21)/t10-,12+/m1/s1.
What are the key properties of (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124885376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).