N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide

C14H20N4O — CID 123463757

IUPACN-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
SMILESC/N=C(\N)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c1-16-14(15)18-9-7-12(8-10-18)17-13(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16)(H,17,19)
InChIKeyYFUBVIGPLGIOGG-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.83
Rot. Bonds2

About N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide

N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide (PubChem CID 123463757) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
PubChem CID123463757
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
SMILESC/N=C(\N)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c1-16-14(15)18-9-7-12(8-10-18)17-13(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16)(H,17,19)
InChIKeyYFUBVIGPLGIOGG-UHFFFAOYSA-N
XLogP0.83
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
ethyl 4-[[N-(2-benzamidoethyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327510
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide (CID 123463757) is N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide is C/N=C(\N)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide?
The InChIKey is YFUBVIGPLGIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-14(15)18-9-7-12(8-10-18)17-13(19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16)(H,17,19).
What are the key properties of N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide?
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 123463757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).