[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C25H32N4O3 — CID 174570518

IUPAC[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2,3)23(30)32-28-15-11-21(12-16-28)29-22(20-7-5-4-6-8-20)18-27(24(29)31)17-19-9-13-26-14-10-19/h4-10,13-14,21-22H,11-12,15-18H2,1-3H3/t22-/m0/s1
InChIKeyGIHZCOLCDSLWDR-QFIPXVFZSA-N
MW436.56 g/mol
LogP4.03
Rot. Bonds5

About [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174570518) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174570518
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2,3)23(30)32-28-15-11-21(12-16-28)29-22(20-7-5-4-6-8-20)18-27(24(29)31)17-19-9-13-26-14-10-19/h4-10,13-14,21-22H,11-12,15-18H2,1-3H3/t22-/m0/s1
InChIKeyGIHZCOLCDSLWDR-QFIPXVFZSA-N
XLogP4.03
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174570518) is [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is GIHZCOLCDSLWDR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,3)23(30)32-28-15-11-21(12-16-28)29-22(20-7-5-4-6-8-20)18-27(24(29)31)17-19-9-13-26-14-10-19/h4-10,13-14,21-22H,11-12,15-18H2,1-3H3/t22-/m0/s1.
What are the key properties of [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 436.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174570518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).