5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride

C17H29ClN4O3 — CID 119644656

IUPAC5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCCNCC1CCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)14(22)11-21-15(23)17(2,13-4-5-13)19-16(21)24;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H
InChIKeyCRBFPPYJVRDDTA-UHFFFAOYSA-N
MW372.90 g/mol
LogP0.98
Rot. Bonds6

About 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride

5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride (PubChem CID 119644656) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
PubChem CID119644656
Molecular FormulaC17H29ClN4O3
Molecular Weight372.90 g/mol
Exact Mass372.19
IUPAC Name5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCCNCC1CCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)14(22)11-21-15(23)17(2,13-4-5-13)19-16(21)24;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H
InChIKeyCRBFPPYJVRDDTA-UHFFFAOYSA-N
XLogP0.98
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride (CID 119644656) is 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride is CCNCC1CCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1.Cl.
What is the InChIKey of 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is CRBFPPYJVRDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)14(22)11-21-15(23)17(2,13-4-5-13)19-16(21)24;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H.
What are the key properties of 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119644656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).