2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one

C27H33N5O2 — CID 25006053

IUPAC2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C27H33N5O2/c28-26-30-27(22-7-3-1-4-8-22,23-9-5-2-6-10-23)25(34)32(26)19-20-13-17-31(18-14-20)24(33)21-11-15-29-16-12-21/h1-10,20-21,29H,11-19H2,(H2,28,30)
InChIKeyNUVMRJCDMUMZCW-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one

2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 25006053) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
PubChem CID25006053
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C27H33N5O2/c28-26-30-27(22-7-3-1-4-8-22,23-9-5-2-6-10-23)25(34)32(26)19-20-13-17-31(18-14-20)24(33)21-11-15-29-16-12-21/h1-10,20-21,29H,11-19H2,(H2,28,30)
InChIKeyNUVMRJCDMUMZCW-UHFFFAOYSA-N
XLogP2.33
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one (CID 25006053) is 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
The InChIKey is NUVMRJCDMUMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c28-26-30-27(22-7-3-1-4-8-22,23-9-5-2-6-10-23)25(34)32(26)19-20-13-17-31(18-14-20)24(33)21-11-15-29-16-12-21/h1-10,20-21,29H,11-19H2,(H2,28,30).
What are the key properties of 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one?
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 459.59 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 25006053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).