(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide

C23H32N6O3 — CID 142234622

IUPAC(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
SMILESNC(=O)C(NC=O)c1ccccc1.O=C(c1cnc[nH]1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H22N4O.C9H10N2O2/c19-14(13-10-15-11-16-13)18-8-6-17(7-9-18)12-4-2-1-3-5-12;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h10-12H,1-9H2,(H,15,16);1-6,8H,(H2,10,13)(H,11,12)
InChIKeyTXAVNIFFKHMJRQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.46
Rot. Bonds6

About (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide

(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide (PubChem CID 142234622) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
PubChem CID142234622
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
SMILESNC(=O)C(NC=O)c1ccccc1.O=C(c1cnc[nH]1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H22N4O.C9H10N2O2/c19-14(13-10-15-11-16-13)18-8-6-17(7-9-18)12-4-2-1-3-5-12;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h10-12H,1-9H2,(H,15,16);1-6,8H,(H2,10,13)(H,11,12)
InChIKeyTXAVNIFFKHMJRQ-UHFFFAOYSA-N
XLogP1.46
TPSA124.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide with MolForge

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Related Compounds

2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
CID 142234513
(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
CID 142234568
(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
CID 142234528
(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
CID 142234477
(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
CID 142234618
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(1H-indole-6-carbonyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992089
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072045
[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 30881980
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide (CID 142234622) is (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide is NC(=O)C(NC=O)c1ccccc1.O=C(c1cnc[nH]1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide?
The InChIKey is TXAVNIFFKHMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.C9H10N2O2/c19-14(13-10-15-11-16-13)18-8-6-17(7-9-18)12-4-2-1-3-5-12;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h10-12H,1-9H2,(H,15,16);1-6,8H,(H2,10,13)(H,11,12).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide?
(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide has a molecular weight of 440.55 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).