3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

C20H25N3O2 — CID 119872361

IUPAC3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1
InChIInChI=1S/C20H25N3O2/c21-18-5-2-4-17(12-18)20(25)22-19-6-1-3-16(11-19)13-23-9-7-15(14-24)8-10-23/h1-6,11-12,15,24H,7-10,13-14,21H2,(H,22,25)
InChIKeyFDIKILYMLUQBFV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (PubChem CID 119872361) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
PubChem CID119872361
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1
InChIInChI=1S/C20H25N3O2/c21-18-5-2-4-17(12-18)20(25)22-19-6-1-3-16(11-19)13-23-9-7-15(14-24)8-10-23/h1-6,11-12,15,24H,7-10,13-14,21H2,(H,22,25)
InChIKeyFDIKILYMLUQBFV-UHFFFAOYSA-N
XLogP2.73
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 110921212
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 84588040
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596313

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (CID 119872361) is 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is Nc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1.
What is the InChIKey of 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The InChIKey is FDIKILYMLUQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-18-5-2-4-17(12-18)20(25)22-19-6-1-3-16(11-19)13-23-9-7-15(14-24)8-10-23/h1-6,11-12,15,24H,7-10,13-14,21H2,(H,22,25).
What are the key properties of 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 119872361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).