4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide

C14H18FN3OS — CID 107161223

IUPAC4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(C(N)=S)CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3OS/c1-14(12(16)20)6-8-18(9-7-14)13(19)17-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMDUGXJLVPXOJCN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.75
Rot. Bonds2

About 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide

4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 107161223) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID107161223
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(C(N)=S)CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3OS/c1-14(12(16)20)6-8-18(9-7-14)13(19)17-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMDUGXJLVPXOJCN-UHFFFAOYSA-N
XLogP2.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 107161223) is 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1(C(N)=S)CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is MDUGXJLVPXOJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-14(12(16)20)6-8-18(9-7-14)13(19)17-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107161223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).