N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide

C22H28N4O2 — CID 108519062

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c23-14-18-7-4-8-19(13-18)15-24-21(27)22(28)25-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16,23H2,(H,24,27)(H,25,28)
InChIKeyHGMPZMLEZXWQSP-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.54
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide (PubChem CID 108519062) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
PubChem CID108519062
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c23-14-18-7-4-8-19(13-18)15-24-21(27)22(28)25-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16,23H2,(H,24,27)(H,25,28)
InChIKeyHGMPZMLEZXWQSP-UHFFFAOYSA-N
XLogP1.54
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108518961
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[[3-(aminomethyl)phenyl]methyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108506987
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
CID 108518943
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide (CID 108519062) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide is NCc1cccc(CNC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide?
The InChIKey is HGMPZMLEZXWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-14-18-7-4-8-19(13-18)15-24-21(27)22(28)25-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16,23H2,(H,24,27)(H,25,28).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide has a molecular weight of 380.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108519062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).