5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C15H24N4O3 — CID 134368735

IUPAC5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1C
InChIInChI=1S/C15H24N4O3/c1-10-9-19(8-7-18(10)2)12(20)5-6-15(11-3-4-11)13(21)16-14(22)17-15/h10-11H,3-9H2,1-2H3,(H2,16,17,21,22)/t10-,15?/m0/s1
InChIKeyHAXXRXROQYGWLO-MYHCZTBNSA-N
MW308.38 g/mol
LogP-0.08
Rot. Bonds4

About 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 134368735) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID134368735
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1C
InChIInChI=1S/C15H24N4O3/c1-10-9-19(8-7-18(10)2)12(20)5-6-15(11-3-4-11)13(21)16-14(22)17-15/h10-11H,3-9H2,1-2H3,(H2,16,17,21,22)/t10-,15?/m0/s1
InChIKeyHAXXRXROQYGWLO-MYHCZTBNSA-N
XLogP-0.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437664
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
3-[(2S)-4-[3-(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)propanoyl]-2-methylpiperazin-1-yl]-5-fluorobenzonitrile
CID 121437613
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
(5S)-5-cyclopropyl-5-[3-[(5R)-7,8-dichloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 163196430
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
(5S)-5-[3-(8-chloro-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166935603
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]propyl]imidazolidine-2,4-dione
CID 166935727
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
5-cyclopropyl-5-[3-[4-[3-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 146266054

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 134368735) is 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1C.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is HAXXRXROQYGWLO-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-9-19(8-7-18(10)2)12(20)5-6-15(11-3-4-11)13(21)16-14(22)17-15/h10-11H,3-9H2,1-2H3,(H2,16,17,21,22)/t10-,15?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134368735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).