2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide

C27H33N5O3 — CID 142234513

IUPAC2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
SMILESN#Cc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H23N3O.C9H10N2O2/c19-14-15-6-4-5-9-17(15)18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h4-6,9,16H,1-3,7-8,10-13H2;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyMNHCVFOKEIETPC-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.61
Rot. Bonds6

About 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide

2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide (PubChem CID 142234513) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
PubChem CID142234513
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
SMILESN#Cc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H23N3O.C9H10N2O2/c19-14-15-6-4-5-9-17(15)18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h4-6,9,16H,1-3,7-8,10-13H2;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyMNHCVFOKEIETPC-UHFFFAOYSA-N
XLogP2.61
TPSA119.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
CID 142234568
(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
CID 142234622
(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
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide?
The IUPAC name of 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide (CID 142234513) is 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide is N#Cc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1.
What is the InChIKey of 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide?
The InChIKey is MNHCVFOKEIETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C9H10N2O2/c19-14-15-6-4-5-9-17(15)18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h4-6,9,16H,1-3,7-8,10-13H2;1-6,8H,(H2,10,13)(H,11,12).
What are the key properties of 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide?
2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide has a molecular weight of 475.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).