N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide

C20H23N3OS — CID 24792377

IUPACN-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
SMILESCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3OS/c1-15-7-9-17(10-8-15)22-20(25)23-13-11-18(12-14-23)21-19(24)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyNCVZHTDJVJFWBH-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.59
Rot. Bonds3

About N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide

N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide (PubChem CID 24792377) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
PubChem CID24792377
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
SMILESCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3OS/c1-15-7-9-17(10-8-15)22-20(25)23-13-11-18(12-14-23)21-19(24)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyNCVZHTDJVJFWBH-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide (CID 24792377) is N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide is Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide?
The InChIKey is NCVZHTDJVJFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-7-9-17(10-8-15)22-20(25)23-13-11-18(12-14-23)21-19(24)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide?
N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide has a molecular weight of 353.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24792377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).