4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide

C20H23N3O2S — CID 3218579

IUPAC4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-25-18-9-7-15(8-10-18)19(24)21-17-11-13-23(14-12-17)20(26)22-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyAXUDYXBXYADKTL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.29
Rot. Bonds4

About 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide

4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide (PubChem CID 3218579) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
PubChem CID3218579
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-25-18-9-7-15(8-10-18)19(24)21-17-11-13-23(14-12-17)20(26)22-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyAXUDYXBXYADKTL-UHFFFAOYSA-N
XLogP3.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-benzoyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 2460838
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218538
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide (CID 3218579) is 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide?
The InChIKey is AXUDYXBXYADKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-18-9-7-15(8-10-18)19(24)21-17-11-13-23(14-12-17)20(26)22-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide?
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).