(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen

C20H31N3O3 — CID 145414348

IUPAC(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
SMILESCC[C@]1(C[C@H](C)C(=O)N2CCC(c3ccccc3)CC2)NC(=O)NC1=O.[H][H].[H][H]
InChIInChI=1S/C20H27N3O3.2H2/c1-3-20(18(25)21-19(26)22-20)13-14(2)17(24)23-11-9-16(10-12-23)15-7-5-4-6-8-15;;/h4-8,14,16H,3,9-13H2,1-2H3,(H2,21,22,25,26);2*1H/t14-,20+;;/m0../s1
InChIKeyDUPVWWWZGTZOML-AAKYCSGMSA-N
MW361.49 g/mol
LogP2.90
Rot. Bonds5

About (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen

(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen (PubChem CID 145414348) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
PubChem CID145414348
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
SMILESCC[C@]1(C[C@H](C)C(=O)N2CCC(c3ccccc3)CC2)NC(=O)NC1=O.[H][H].[H][H]
InChIInChI=1S/C20H27N3O3.2H2/c1-3-20(18(25)21-19(26)22-20)13-14(2)17(24)23-11-9-16(10-12-23)15-7-5-4-6-8-15;;/h4-8,14,16H,3,9-13H2,1-2H3,(H2,21,22,25,26);2*1H/t14-,20+;;/m0../s1
InChIKeyDUPVWWWZGTZOML-AAKYCSGMSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
(5S)-5-[3-[4-(4-chloro-3-ethyl-5-methoxyphenyl)piperidin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 139530005
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen?
The IUPAC name of (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen (CID 145414348) is (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen?
The canonical SMILES for (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen is CC[C@]1(C[C@H](C)C(=O)N2CCC(c3ccccc3)CC2)NC(=O)NC1=O.[H][H].[H][H].
What is the InChIKey of (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen?
The InChIKey is DUPVWWWZGTZOML-AAKYCSGMSA-N. The full InChI is InChI=1S/C20H27N3O3.2H2/c1-3-20(18(25)21-19(26)22-20)13-14(2)17(24)23-11-9-16(10-12-23)15-7-5-4-6-8-15;;/h4-8,14,16H,3,9-13H2,1-2H3,(H2,21,22,25,26);2*1H/t14-,20+;;/m0../s1.
What are the key properties of (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen?
(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen has a molecular weight of 361.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 145414348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).