3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide

C26H35N3O2 — CID 155518933

IUPAC3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-27-26(30)29-16-8-9-21(20-29)19-28-17-14-24(15-18-28)31-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-25H,8-9,14-20H2,1H3,(H,27,30)
InChIKeyHEYPOORFOFYNED-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.31
Rot. Bonds6

About 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide

3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 155518933) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide
PubChem CID155518933
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-27-26(30)29-16-8-9-21(20-29)19-28-17-14-24(15-18-28)31-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-25H,8-9,14-20H2,1H3,(H,27,30)
InChIKeyHEYPOORFOFYNED-UHFFFAOYSA-N
XLogP4.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide (CID 155518933) is 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1.
What is the InChIKey of 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is HEYPOORFOFYNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-27-26(30)29-16-8-9-21(20-29)19-28-17-14-24(15-18-28)31-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-25H,8-9,14-20H2,1H3,(H,27,30).
What are the key properties of 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide?
3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 155518933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).