1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide

C22H27N3O2 — CID 24503682

IUPAC1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
SMILESCCCc1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-2-7-17-11-13-20(14-12-17)23-21(26)18-8-6-15-25(16-18)22(27)24-19-9-4-3-5-10-19/h3-5,9-14,18H,2,6-8,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWZPWLZGDIBFKDA-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.52
Rot. Bonds5

About 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 24503682) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
PubChem CID24503682
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
SMILESCCCc1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-2-7-17-11-13-20(14-12-17)23-21(26)18-8-6-15-25(16-18)22(27)24-19-9-4-3-5-10-19/h3-5,9-14,18H,2,6-8,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWZPWLZGDIBFKDA-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide (CID 24503682) is 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide is CCCc1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is WZPWLZGDIBFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-7-17-11-13-20(14-12-17)23-21(26)18-8-6-15-25(16-18)22(27)24-19-9-4-3-5-10-19/h3-5,9-14,18H,2,6-8,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24503682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).