N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide

C26H36N2O2 — CID 54751790

IUPACN-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)C1CCN(CCc2ccccc2)CC1)c1ccccc1OC
InChIInChI=1S/C26H36N2O2/c1-4-26(5-2,23-13-9-10-14-24(23)30-3)27-25(29)22-16-19-28(20-17-22)18-15-21-11-7-6-8-12-21/h6-14,22H,4-5,15-20H2,1-3H3,(H,27,29)
InChIKeyPVNPBUNYJMLQPL-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.78
Rot. Bonds9

About N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide

N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 54751790) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID54751790
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)C1CCN(CCc2ccccc2)CC1)c1ccccc1OC
InChIInChI=1S/C26H36N2O2/c1-4-26(5-2,23-13-9-10-14-24(23)30-3)27-25(29)22-16-19-28(20-17-22)18-15-21-11-7-6-8-12-21/h6-14,22H,4-5,15-20H2,1-3H3,(H,27,29)
InChIKeyPVNPBUNYJMLQPL-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide (CID 54751790) is N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide is CCC(CC)(NC(=O)C1CCN(CCc2ccccc2)CC1)c1ccccc1OC.
What is the InChIKey of N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is PVNPBUNYJMLQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-4-26(5-2,23-13-9-10-14-24(23)30-3)27-25(29)22-16-19-28(20-17-22)18-15-21-11-7-6-8-12-21/h6-14,22H,4-5,15-20H2,1-3H3,(H,27,29).
What are the key properties of N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide?
N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 54751790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).