1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C25H27N3O2 — CID 24793250

IUPAC1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)c1
InChIInChI=1S/C25H27N3O2/c1-19-7-4-8-20(15-19)17-28-14-6-9-21(18-28)25(29)27-23-11-2-3-12-24(23)30-22-10-5-13-26-16-22/h2-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,1H3,(H,27,29)
InChIKeyMBFNULUCGSJHGU-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.03
Rot. Bonds6

About 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24793250) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24793250
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)c1
InChIInChI=1S/C25H27N3O2/c1-19-7-4-8-20(15-19)17-28-14-6-9-21(18-28)25(29)27-23-11-2-3-12-24(23)30-22-10-5-13-26-16-22/h2-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,1H3,(H,27,29)
InChIKeyMBFNULUCGSJHGU-UHFFFAOYSA-N
XLogP5.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24793250) is 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is MBFNULUCGSJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-7-4-8-20(15-19)17-28-14-6-9-21(18-28)25(29)27-23-11-2-3-12-24(23)30-22-10-5-13-26-16-22/h2-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,1H3,(H,27,29).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).