N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide

C15H21N3OS — CID 107653594

IUPACN-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
SMILESCC1(C(N)=S)CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H21N3OS/c1-15(13(16)20)7-9-18(10-8-15)14(19)17-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,20)(H,17,19)
InChIKeyOVAWMHIDUPBWJT-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.28
Rot. Bonds3

About N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide

N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide (PubChem CID 107653594) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
PubChem CID107653594
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
SMILESCC1(C(N)=S)CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H21N3OS/c1-15(13(16)20)7-9-18(10-8-15)14(19)17-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,20)(H,17,19)
InChIKeyOVAWMHIDUPBWJT-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.28
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

N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzylazonane-1-carboxamide
CID 130689649
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 107654401
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165
4-methyl-1-(2-phenylbutanoyl)piperidine-4-carbothioamide
CID 107161116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide (CID 107653594) is N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide is CC1(C(N)=S)CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide?
The InChIKey is OVAWMHIDUPBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(13(16)20)7-9-18(10-8-15)14(19)17-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide?
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107653594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).