N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide

C16H22N4O3 — CID 108519038

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H22N4O3/c17-9-11-2-1-3-12(8-11)10-19-15(22)16(23)20-14(21)13-4-6-18-7-5-13/h1-3,8,13,18H,4-7,9-10,17H2,(H,19,22)(H,20,21,23)
InChIKeyCDQIOOBVSXJLJZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.60
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108519038) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108519038
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H22N4O3/c17-9-11-2-1-3-12(8-11)10-19-15(22)16(23)20-14(21)13-4-6-18-7-5-13/h1-3,8,13,18H,4-7,9-10,17H2,(H,19,22)(H,20,21,23)
InChIKeyCDQIOOBVSXJLJZ-UHFFFAOYSA-N
XLogP-0.60
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892179
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
CID 108518943
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108518961
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide (CID 108519038) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide is NCc1cccc(CNC(=O)C(=O)NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is CDQIOOBVSXJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-9-11-2-1-3-12(8-11)10-19-15(22)16(23)20-14(21)13-4-6-18-7-5-13/h1-3,8,13,18H,4-7,9-10,17H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 318.38 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108519038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).