4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C21H24ClN3O2 — CID 25162429

IUPAC4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15(16-7-9-18(22)10-8-16)23-20(26)17-11-13-25(14-12-17)21(27)24-19-5-3-2-4-6-19/h2-10,15,17H,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyFWGPQRLGGMWSTM-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.46
Rot. Bonds4

About 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 25162429) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID25162429
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15(16-7-9-18(22)10-8-16)23-20(26)17-11-13-25(14-12-17)21(27)24-19-5-3-2-4-6-19/h2-10,15,17H,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyFWGPQRLGGMWSTM-UHFFFAOYSA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 25162429) is 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is CC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is FWGPQRLGGMWSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(16-7-9-18(22)10-8-16)23-20(26)17-11-13-25(14-12-17)21(27)24-19-5-3-2-4-6-19/h2-10,15,17H,11-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-chlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 25162429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).