4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide

C26H28N4O2 — CID 167930415

IUPAC4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N4O2/c31-25(22-6-8-23(9-7-22)26(32)29-24-4-2-1-3-5-24)28-18-20-12-16-30(17-13-20)19-21-10-14-27-15-11-21/h1-11,14-15,20H,12-13,16-19H2,(H,28,31)(H,29,32)
InChIKeyUUVXAPVXCJRAKA-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.98
Rot. Bonds7

About 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide

4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide (PubChem CID 167930415) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
PubChem CID167930415
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N4O2/c31-25(22-6-8-23(9-7-22)26(32)29-24-4-2-1-3-5-24)28-18-20-12-16-30(17-13-20)19-21-10-14-27-15-11-21/h1-11,14-15,20H,12-13,16-19H2,(H,28,31)(H,29,32)
InChIKeyUUVXAPVXCJRAKA-UHFFFAOYSA-N
XLogP3.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
methyl 4-[[2-oxo-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate
CID 16887131
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(E)-3-[4-[(1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 175172599
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
5-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353976
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 166243194

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide (CID 167930415) is 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide is O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide?
The InChIKey is UUVXAPVXCJRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(22-6-8-23(9-7-22)26(32)29-24-4-2-1-3-5-24)28-18-20-12-16-30(17-13-20)19-21-10-14-27-15-11-21/h1-11,14-15,20H,12-13,16-19H2,(H,28,31)(H,29,32).
What are the key properties of 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide?
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 167930415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).