2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

C27H30N2O2 — CID 56552174

IUPAC2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C27H30N2O2/c30-25-14-16-29(17-15-25)20-23-12-10-22(11-13-23)19-28-27(31)26-9-5-4-8-24(26)18-21-6-2-1-3-7-21/h1-13,25,30H,14-20H2,(H,28,31)
InChIKeyFVZITMPKRUXUID-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.16
Rot. Bonds7

About 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 56552174) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID56552174
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C27H30N2O2/c30-25-14-16-29(17-15-25)20-23-12-10-22(11-13-23)19-28-27(31)26-9-5-4-8-24(26)18-21-6-2-1-3-7-21/h1-13,25,30H,14-20H2,(H,28,31)
InChIKeyFVZITMPKRUXUID-UHFFFAOYSA-N
XLogP4.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56555313
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
2-benzyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide
CID 55664223
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56555213
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551787

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 56552174) is 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is FVZITMPKRUXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-25-14-16-29(17-15-25)20-23-12-10-22(11-13-23)19-28-27(31)26-9-5-4-8-24(26)18-21-6-2-1-3-7-21/h1-13,25,30H,14-20H2,(H,28,31).
What are the key properties of 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 56552174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).