4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C26H35N3O — CID 92682170

IUPAC4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O/c1-21-6-5-15-28(19-21)20-23-7-11-24(12-8-23)26(30)27-18-22-9-13-25(14-10-22)29-16-3-2-4-17-29/h7-14,21H,2-6,15-20H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyODCADJOKAWGZEE-OAQYLSRUSA-N
MW405.59 g/mol
LogP4.84
Rot. Bonds6

About 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 92682170) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID92682170
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O/c1-21-6-5-15-28(19-21)20-23-7-11-24(12-8-23)26(30)27-18-22-9-13-25(14-10-22)29-16-3-2-4-17-29/h7-14,21H,2-6,15-20H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyODCADJOKAWGZEE-OAQYLSRUSA-N
XLogP4.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
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4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
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4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 92682170) is 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)C1.
What is the InChIKey of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is ODCADJOKAWGZEE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35N3O/c1-21-6-5-15-28(19-21)20-23-7-11-24(12-8-23)26(30)27-18-22-9-13-25(14-10-22)29-16-3-2-4-17-29/h7-14,21H,2-6,15-20H2,1H3,(H,27,30)/t21-/m1/s1.
What are the key properties of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 405.59 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 92682170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).