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

C25H27N3O3 — CID 24790246

IUPAC1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-22-8-4-19(5-9-22)18-28-15-12-20(13-16-28)25(29)27-21-6-10-23(11-7-21)31-24-3-2-14-26-17-24/h2-11,14,17,20H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyRTHWJTSKQJWTDC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.73
Rot. Bonds7

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

1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24790246) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24790246
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-22-8-4-19(5-9-22)18-28-15-12-20(13-16-28)25(29)27-21-6-10-23(11-7-21)31-24-3-2-14-26-17-24/h2-11,14,17,20H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyRTHWJTSKQJWTDC-UHFFFAOYSA-N
XLogP4.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24790246) is 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is RTHWJTSKQJWTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-22-8-4-19(5-9-22)18-28-15-12-20(13-16-28)25(29)27-21-6-10-23(11-7-21)31-24-3-2-14-26-17-24/h2-11,14,17,20H,12-13,15-16,18H2,1H3,(H,27,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).