(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

C19H26N4O4 — CID 95211215

IUPAC(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O
InChIInChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyDCKSRKWKOPBYHS-AWEZNQCLSA-N
MW374.44 g/mol
LogP0.92
Rot. Bonds5

About (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 95211215) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID95211215
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O
InChIInChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyDCKSRKWKOPBYHS-AWEZNQCLSA-N
XLogP0.92
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
CID 124749245
3-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157012051
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 92616680
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 50953559
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71701821
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 95211215) is (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@@H](CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O.
What is the InChIKey of (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is DCKSRKWKOPBYHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26)/t14-/m0/s1.
What are the key properties of (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95211215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).