1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide

C26H27FN4O2 — CID 126475651

IUPAC1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccccn1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H27FN4O2/c27-22-11-9-20(10-12-22)24(23-8-4-5-15-28-23)30-25(32)21-13-16-31(17-14-21)26(33)29-18-19-6-2-1-3-7-19/h1-12,15,21,24H,13-14,16-18H2,(H,29,33)(H,30,32)
InChIKeyFQFGYAUAFUSMFR-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.05
Rot. Bonds6

About 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide

1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide (PubChem CID 126475651) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
PubChem CID126475651
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccccn1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H27FN4O2/c27-22-11-9-20(10-12-22)24(23-8-4-5-15-28-23)30-25(32)21-13-16-31(17-14-21)26(33)29-18-19-6-2-1-3-7-19/h1-12,15,21,24H,13-14,16-18H2,(H,29,33)(H,30,32)
InChIKeyFQFGYAUAFUSMFR-UHFFFAOYSA-N
XLogP4.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]-2-methylpropanoic acid
CID 121413267
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-[2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]oxypropan-2-yl]piperidine-4-carboxamide
CID 121427398
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 36951570
2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126475457
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413281
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide (CID 126475651) is 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide is O=C(NC(c1ccc(F)cc1)c1ccccn1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide?
The InChIKey is FQFGYAUAFUSMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-22-11-9-20(10-12-22)24(23-8-4-5-15-28-23)30-25(32)21-13-16-31(17-14-21)26(33)29-18-19-6-2-1-3-7-19/h1-12,15,21,24H,13-14,16-18H2,(H,29,33)(H,30,32).
What are the key properties of 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 126475651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).