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

C16H23N3O2S — CID 3218538

IUPACN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCOCCNC(=S)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-21-12-9-17-16(22)19-10-7-14(8-11-19)18-15(20)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,22)(H,18,20)
InChIKeyVWUMWNHZNHHGFI-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.40
Rot. Bonds5

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

N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide (PubChem CID 3218538) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
PubChem CID3218538
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCOCCNC(=S)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-21-12-9-17-16(22)19-10-7-14(8-11-19)18-15(20)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,22)(H,18,20)
InChIKeyVWUMWNHZNHHGFI-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218527
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218722
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
4-(4-chlorobenzoyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 3223569
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide (CID 3218538) is N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide is COCCNC(=S)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide?
The InChIKey is VWUMWNHZNHHGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-21-12-9-17-16(22)19-10-7-14(8-11-19)18-15(20)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,22)(H,18,20).
What are the key properties of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide?
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide has a molecular weight of 321.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).