2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide

C28H32N2O3 — CID 56551787

IUPAC2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C28H32N2O3/c31-26-15-17-30(18-16-26)20-23-13-11-22(12-14-23)19-29-27(32)21-33-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,26,28,31H,15-21H2,(H,29,32)
InChIKeyOGDIWXMVUCTNCS-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.07
Rot. Bonds9

About 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 56551787) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID56551787
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C28H32N2O3/c31-26-15-17-30(18-16-26)20-23-13-11-22(12-14-23)19-29-27(32)21-33-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,26,28,31H,15-21H2,(H,29,32)
InChIKeyOGDIWXMVUCTNCS-UHFFFAOYSA-N
XLogP4.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
4-(1,3-benzothiazol-2-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 56551795
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551818
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 56551787) is 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide is O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is OGDIWXMVUCTNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c31-26-15-17-30(18-16-26)20-23-13-11-22(12-14-23)19-29-27(32)21-33-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,26,28,31H,15-21H2,(H,29,32).
What are the key properties of 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 56551787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).