(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide

C28H37ClN4O3 — CID 142234618

IUPAC(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
SMILESCc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2C)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C19H27ClN2O.C9H10N2O2/c1-14-5-3-4-6-18(14)21-9-11-22(12-10-21)19(23)17-8-7-16(20)13-15(17)2;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14,18H,3-6,9-12H2,1-2H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyKZMDKYQTLUJUFM-UHFFFAOYSA-N
MW513.08 g/mol
LogP3.94
Rot. Bonds6

About (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide

(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide (PubChem CID 142234618) has the molecular formula C28H37ClN4O3 and a molecular weight of 513.08 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
PubChem CID142234618
Molecular FormulaC28H37ClN4O3
Molecular Weight513.08 g/mol
Exact Mass512.26
IUPAC Name(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide
SMILESCc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2C)CC1.NC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C19H27ClN2O.C9H10N2O2/c1-14-5-3-4-6-18(14)21-9-11-22(12-10-21)19(23)17-8-7-16(20)13-15(17)2;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14,18H,3-6,9-12H2,1-2H3;1-6,8H,(H2,10,13)(H,11,12)
InChIKeyKZMDKYQTLUJUFM-UHFFFAOYSA-N
XLogP3.94
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.08
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]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
(4-cyclohexylpiperazin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;2-formamido-2-phenylacetamide
CID 142234528
2-(4-cyclohexylpiperazine-1-carbonyl)benzonitrile;2-formamido-2-phenylacetamide
CID 142234513
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
(4-cyclohexylpiperazin-1-yl)-(1H-imidazol-5-yl)methanone;2-formamido-2-phenylacetamide
CID 142234622
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992087
(1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 142234603
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992021
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
[4-(1-bromoethyl)piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone
CID 114028204
(4-chloro-2-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 122145539

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide?
The IUPAC name of (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide (CID 142234618) is (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide?
The canonical SMILES for (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide is Cc1cc(Cl)ccc1C(=O)N1CCN(C2CCCCC2C)CC1.NC(=O)C(NC=O)c1ccccc1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide?
The InChIKey is KZMDKYQTLUJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.C9H10N2O2/c1-14-5-3-4-6-18(14)21-9-11-22(12-10-21)19(23)17-8-7-16(20)13-15(17)2;10-9(13)8(11-6-12)7-4-2-1-3-5-7/h7-8,13-14,18H,3-6,9-12H2,1-2H3;1-6,8H,(H2,10,13)(H,11,12).
What are the key properties of (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide?
(4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide has a molecular weight of 513.08 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone;2-formamido-2-phenylacetamide is sourced from PubChem (CID 142234618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).