4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one

C18H25N5O2 — CID 137468221

IUPAC4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one
SMILESO=C1NCC(CCC(=O)N2CCN(c3ccncc3)CC2)(C2CC2)N1
InChIInChI=1S/C18H25N5O2/c24-16(3-6-18(14-1-2-14)13-20-17(25)21-18)23-11-9-22(10-12-23)15-4-7-19-8-5-15/h4-5,7-8,14H,1-3,6,9-13H2,(H2,20,21,25)
InChIKeyMXGANPNMHCTJTA-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.97
Rot. Bonds5

About 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one

4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one (PubChem CID 137468221) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one
PubChem CID137468221
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one
SMILESO=C1NCC(CCC(=O)N2CCN(c3ccncc3)CC2)(C2CC2)N1
InChIInChI=1S/C18H25N5O2/c24-16(3-6-18(14-1-2-14)13-20-17(25)21-18)23-11-9-22(10-12-23)15-4-7-19-8-5-15/h4-5,7-8,14H,1-3,6,9-13H2,(H2,20,21,25)
InChIKeyMXGANPNMHCTJTA-UHFFFAOYSA-N
XLogP0.97
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one with MolForge

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Related Compounds

3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
2-[1-hydroxy-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
CID 70190836
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 21462820
1-[4-[(2S)-2-amino-3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]piperidin-1-yl]pentan-1-one
CID 129086287
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
4-(4-tert-butylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one
CID 166191715
1-(4-pyridin-4-ylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 9255229
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one?
The IUPAC name of 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one (CID 137468221) is 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one?
The canonical SMILES for 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one is O=C1NCC(CCC(=O)N2CCN(c3ccncc3)CC2)(C2CC2)N1.
What is the InChIKey of 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one?
The InChIKey is MXGANPNMHCTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16(3-6-18(14-1-2-14)13-20-17(25)21-18)23-11-9-22(10-12-23)15-4-7-19-8-5-15/h4-5,7-8,14H,1-3,6,9-13H2,(H2,20,21,25).
What are the key properties of 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one?
4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]imidazolidin-2-one is sourced from PubChem (CID 137468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).