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

C27H35ClN4O4 — CID 142234477

IUPAC(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H25ClN2O2.C9H10N2O2/c1-23-17-13-14(19)7-8-16(17)18(22)21-11-9-20(10-12-21)15-5-3-2-4-6-15;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13,15H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyUPLXTIBCBLFMEB-UHFFFAOYSA-N
MW515.05 g/mol
LogP3.40
Rot. Bonds7

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

(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide (PubChem CID 142234477) has the molecular formula C27H35ClN4O4 and a molecular weight of 515.05 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
PubChem CID142234477
Molecular FormulaC27H35ClN4O4
Molecular Weight515.05 g/mol
Exact Mass514.23
IUPAC Name(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C18H25ClN2O2.C9H10N2O2/c1-23-17-13-14(19)7-8-16(17)18(22)21-11-9-20(10-12-21)15-5-3-2-4-6-15;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13,15H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyUPLXTIBCBLFMEB-UHFFFAOYSA-N
XLogP3.40
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.05
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
CID 142234528
(2-chlorophenyl)-(4-cyclohexylpiperazin-1-yl)methanone;ethane;2-formamido-2-phenylacetamide
CID 142234568
(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
CID 142234618
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-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992058
(1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 142234603
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
CID 154784378

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide (CID 142234477) is (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide is COc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2)CC1.NC(=O)C(NC=O)c1ccccc1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide?
The InChIKey is UPLXTIBCBLFMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.C9H10N2O2/c1-23-17-13-14(19)7-8-16(17)18(22)21-11-9-20(10-12-21)15-5-3-2-4-6-15;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13,15H,2-6,9-12H2,1H3;1-6,8H,(H2,10,13)(H,11,12).
What are the key properties of (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide?
(4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide has a molecular weight of 515.05 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(4-cyclohexylpiperazin-1-yl)methanone;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).