(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide

C28H39ClN4O3 — CID 142234568

IUPAC(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
SMILESCC.NC(=O)C(NC=O)c1ccccc1.O=C(c1ccccc1Cl)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H23ClN2O.C9H10N2O2.C2H6/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7;1-2/h4-5,8-9,14H,1-3,6-7,10-13H2;1-6,8H,(H2,10,13)(H,11,12);1-2H3
InChIKeyUCBVCDUNAPDYEZ-UHFFFAOYSA-N
MW515.10 g/mol
LogP4.42
Rot. Bonds6

About (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide

(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide (PubChem CID 142234568) has the molecular formula C28H39ClN4O3 and a molecular weight of 515.10 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
PubChem CID142234568
Molecular FormulaC28H39ClN4O3
Molecular Weight515.10 g/mol
Exact Mass514.27
IUPAC Name(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
SMILESCC.NC(=O)C(NC=O)c1ccccc1.O=C(c1ccccc1Cl)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H23ClN2O.C9H10N2O2.C2H6/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7;1-2/h4-5,8-9,14H,1-3,6-7,10-13H2;1-6,8H,(H2,10,13)(H,11,12);1-2H3
InChIKeyUCBVCDUNAPDYEZ-UHFFFAOYSA-N
XLogP4.42
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.10
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
CID 142234513
(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
CID 142234477
(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
CID 142234528
(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
CID 142234622
(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
CID 142234618
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55584115
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide?
The IUPAC name of (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide (CID 142234568) is (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide.
What is the SMILES notation for (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide?
The canonical SMILES for (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide is CC.NC(=O)C(NC=O)c1ccccc1.O=C(c1ccccc1Cl)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide?
The InChIKey is UCBVCDUNAPDYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O.C9H10N2O2.C2H6/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7;1-2/h4-5,8-9,14H,1-3,6-7,10-13H2;1-6,8H,(H2,10,13)(H,11,12);1-2H3.
What are the key properties of (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide?
(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide has a molecular weight of 515.10 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).