N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide

C23H28ClN3O3 — CID 86943894

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(CC(C)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-16(13-17-7-6-8-19(14-17)30-2)25-22(28)23(29)26-20-15-18(24)9-10-21(20)27-11-4-3-5-12-27/h6-10,14-16H,3-5,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMTZMYNPUIZNKOD-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.02
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide (PubChem CID 86943894) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide
PubChem CID86943894
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(CC(C)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-16(13-17-7-6-8-19(14-17)30-2)25-22(28)23(29)26-20-15-18(24)9-10-21(20)27-11-4-3-5-12-27/h6-10,14-16H,3-5,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMTZMYNPUIZNKOD-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532468
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
4-chloro-2-[[3-(3-methoxyphenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141008032
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
CID 86953536
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide (CID 86943894) is N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide is COc1cccc(CC(C)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide?
The InChIKey is MTZMYNPUIZNKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-16(13-17-7-6-8-19(14-17)30-2)25-22(28)23(29)26-20-15-18(24)9-10-21(20)27-11-4-3-5-12-27/h6-10,14-16H,3-5,11-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide has a molecular weight of 429.95 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide is sourced from PubChem (CID 86943894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).