1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide

C26H28N4O3 — CID 55878430

IUPAC1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)nc3)C2)c1
InChIInChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(32)30-14-6-10-21(17-30)25(31)28-23-12-13-24(27-16-23)33-18-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,21H,6,10,14,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyFIFNVVZIBJZTOB-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.85
Rot. Bonds6

About 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide (PubChem CID 55878430) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
PubChem CID55878430
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)nc3)C2)c1
InChIInChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(32)30-14-6-10-21(17-30)25(31)28-23-12-13-24(27-16-23)33-18-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,21H,6,10,14,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyFIFNVVZIBJZTOB-UHFFFAOYSA-N
XLogP4.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
CID 55837238
1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 55835959
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide (CID 55878430) is 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)nc3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide?
The InChIKey is FIFNVVZIBJZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(32)30-14-6-10-21(17-30)25(31)28-23-12-13-24(27-16-23)33-18-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,21H,6,10,14,17-18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55878430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).