N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride

C16H25ClN4O2 — CID 11739334

IUPACN-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN(N)C(=O)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-12-7-9-19(10-8-12)16(22)20(17)11-14-3-5-15(6-4-14)18-13(2)21;/h3-6,12H,7-11,17H2,1-2H3,(H,18,21);1H
InChIKeyKCCYTGIMRKHTNP-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.59
Rot. Bonds3

About N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride

N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride (PubChem CID 11739334) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride
PubChem CID11739334
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN(N)C(=O)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-12-7-9-19(10-8-12)16(22)20(17)11-14-3-5-15(6-4-14)18-13(2)21;/h3-6,12H,7-11,17H2,1-2H3,(H,18,21);1H
InChIKeyKCCYTGIMRKHTNP-UHFFFAOYSA-N
XLogP2.59
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-(4-acetamidophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 87030997
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride (CID 11739334) is N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CN(N)C(=O)N2CCC(C)CC2)cc1.Cl.
What is the InChIKey of N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride?
The InChIKey is KCCYTGIMRKHTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-12-7-9-19(10-8-12)16(22)20(17)11-14-3-5-15(6-4-14)18-13(2)21;/h3-6,12H,7-11,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride?
N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 11739334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).