N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

C27H34N4O3 — CID 25354920

IUPACN-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C27H34N4O3/c1-27(16-15-21-11-5-3-6-12-21)25(33)31(26(34)28-27)20-24(32)29(2)19-22-13-7-8-14-23(22)30-17-9-4-10-18-30/h3,5-8,11-14H,4,9-10,15-20H2,1-2H3,(H,28,34)/t27-/m1/s1
InChIKeyDANCKHJNCNYMLD-HHHXNRCGSA-N
MW462.59 g/mol
LogP3.58
Rot. Bonds8

About N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 25354920) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID25354920
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C27H34N4O3/c1-27(16-15-21-11-5-3-6-12-21)25(33)31(26(34)28-27)20-24(32)29(2)19-22-13-7-8-14-23(22)30-17-9-4-10-18-30/h3,5-8,11-14H,4,9-10,15-20H2,1-2H3,(H,28,34)/t27-/m1/s1
InChIKeyDANCKHJNCNYMLD-HHHXNRCGSA-N
XLogP3.58
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7170950
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 17413624
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40975116
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 24551688
N-[(4-ethoxyphenyl)methyl]-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 55357460
N-methyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 84601250

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (CID 25354920) is N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is DANCKHJNCNYMLD-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-27(16-15-21-11-5-3-6-12-21)25(33)31(26(34)28-27)20-24(32)29(2)19-22-13-7-8-14-23(22)30-17-9-4-10-18-30/h3,5-8,11-14H,4,9-10,15-20H2,1-2H3,(H,28,34)/t27-/m1/s1.
What are the key properties of N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 462.59 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 25354920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).