1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C25H27N3O2 — CID 24790889

IUPAC1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19-4-6-20(7-5-19)18-28-15-12-21(13-16-28)25(29)27-22-8-10-23(11-9-22)30-24-3-2-14-26-17-24/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyBINDTEXZTDVHQV-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.03
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24790889) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24790889
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19-4-6-20(7-5-19)18-28-15-12-21(13-16-28)25(29)27-22-8-10-23(11-9-22)30-24-3-2-14-26-17-24/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyBINDTEXZTDVHQV-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-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24790889) is 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is BINDTEXZTDVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-4-6-20(7-5-19)18-28-15-12-21(13-16-28)25(29)27-22-8-10-23(11-9-22)30-24-3-2-14-26-17-24/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-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-[(4-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).