(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C17H23N5O3 — CID 97114558

IUPAC(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc(C)n1
InChIInChI=1S/C17H23N5O3/c1-11-9-13(10-12(2)18-11)21-5-7-22(8-6-21)15(23)4-3-14-16(24)20-17(25)19-14/h9-10,14H,3-8H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyGDMFXJRVSRMPRG-CQSZACIVSA-N
MW345.40 g/mol
LogP0.34
Rot. Bonds4

About (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 97114558) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID97114558
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc(C)n1
InChIInChI=1S/C17H23N5O3/c1-11-9-13(10-12(2)18-11)21-5-7-22(8-6-21)15(23)4-3-14-16(24)20-17(25)19-14/h9-10,14H,3-8H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyGDMFXJRVSRMPRG-CQSZACIVSA-N
XLogP0.34
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 166935683
(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
(5S)-5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92564147
5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 139530003

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 97114558) is (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc(C)n1.
What is the InChIKey of (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is GDMFXJRVSRMPRG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-9-13(10-12(2)18-11)21-5-7-22(8-6-21)15(23)4-3-14-16(24)20-17(25)19-14/h9-10,14H,3-8H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1.
What are the key properties of (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97114558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).