N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide

C17H25N3OS — CID 3218527

IUPACN-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCC(C)CNC(=S)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3OS/c1-13(2)12-18-17(22)20-10-8-15(9-11-20)19-16(21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRIEJTLKWRAQTKH-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide

N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide (PubChem CID 3218527) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
PubChem CID3218527
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCC(C)CNC(=S)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3OS/c1-13(2)12-18-17(22)20-10-8-15(9-11-20)19-16(21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRIEJTLKWRAQTKH-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218532
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218538
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218722
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide (CID 3218527) is N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide is CC(C)CNC(=S)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The InChIKey is RIEJTLKWRAQTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-13(2)12-18-17(22)20-10-8-15(9-11-20)19-16(21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide has a molecular weight of 319.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).