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

C20H25N3O2 — CID 119947378

IUPAC2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C20H25N3O2/c21-19-8-4-3-7-18(19)20(25)22-13-15-5-1-2-6-16(15)14-23-11-9-17(24)10-12-23/h1-8,17,24H,9-14,21H2,(H,22,25)
InChIKeyPSTNSZIKEVWFJU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.16
Rot. Bonds5

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

2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 119947378) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID119947378
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C20H25N3O2/c21-19-8-4-3-7-18(19)20(25)22-13-15-5-1-2-6-16(15)14-23-11-9-17(24)10-12-23/h1-8,17,24H,9-14,21H2,(H,22,25)
InChIKeyPSTNSZIKEVWFJU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 119947378) is 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is Nc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is PSTNSZIKEVWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-19-8-4-3-7-18(19)20(25)22-13-15-5-1-2-6-16(15)14-23-11-9-17(24)10-12-23/h1-8,17,24H,9-14,21H2,(H,22,25).
What are the key properties of 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 119947378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).