1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

C21H25N3O2 — CID 3222789

IUPAC1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-11-17-7-3-1-4-8-17)18-12-15-24(16-13-18)21(26)23-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,22,25)(H,23,26)
InChIKeyJXFPYMPPRNZAQD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.29
Rot. Bonds5

About 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (PubChem CID 3222789) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
PubChem CID3222789
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-11-17-7-3-1-4-8-17)18-12-15-24(16-13-18)21(26)23-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,22,25)(H,23,26)
InChIKeyJXFPYMPPRNZAQD-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17446212
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 39476368
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (CID 3222789) is 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The InChIKey is JXFPYMPPRNZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(22-14-11-17-7-3-1-4-8-17)18-12-15-24(16-13-18)21(26)23-19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3222789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).