N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide

C20H21ClN4O3 — CID 57399116

IUPACN'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O3/c21-14-6-8-16(9-7-14)22-18(26)19(27)23-17-10-12-25(13-11-17)20(28)24-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyOLFBPZWJHCSSRM-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.09
Rot. Bonds3

About N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide

N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide (PubChem CID 57399116) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide
PubChem CID57399116
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O3/c21-14-6-8-16(9-7-14)22-18(26)19(27)23-17-10-12-25(13-11-17)20(28)24-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyOLFBPZWJHCSSRM-UHFFFAOYSA-N
XLogP3.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide (CID 57399116) is N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide is O=C(Nc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide?
The InChIKey is OLFBPZWJHCSSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-14-6-8-16(9-7-14)22-18(26)19(27)23-17-10-12-25(13-11-17)20(28)24-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide?
N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide has a molecular weight of 400.87 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]oxamide is sourced from PubChem (CID 57399116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).