(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide

C27H35FN4O4 — CID 142234528

IUPAC(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(F)c1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H25FN2O2.C9H10N2O2/c1-23-15-7-8-16(17(19)13-15)18(22)21-11-9-20(10-12-21)14-5-3-2-4-6-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyBSFQRHVIRLWGSM-UHFFFAOYSA-N
MW498.60 g/mol
LogP2.88
Rot. Bonds7

About (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide

(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide (PubChem CID 142234528) has the molecular formula C27H35FN4O4 and a molecular weight of 498.60 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
PubChem CID142234528
Molecular FormulaC27H35FN4O4
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(F)c1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H25FN2O2.C9H10N2O2/c1-23-15-7-8-16(17(19)13-15)18(22)21-11-9-20(10-12-21)14-5-3-2-4-6-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyBSFQRHVIRLWGSM-UHFFFAOYSA-N
XLogP2.88
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide with MolForge

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Related Compounds

(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
CID 142234477
(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
CID 142234568
2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
CID 142234513
(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
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992087
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide (CID 142234528) is (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide is COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(F)c1.NC(=O)C(NC=O)c1ccccc1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide?
The InChIKey is BSFQRHVIRLWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.C9H10N2O2/c1-23-15-7-8-16(17(19)13-15)18(22)21-11-9-20(10-12-21)14-5-3-2-4-6-14;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide?
(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide has a molecular weight of 498.60 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).