1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea

C14H19FN4OS — CID 61123946

IUPAC1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
SMILESCN1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C14H19FN4OS/c1-19-7-5-14(6-8-19,12(16)21)18-13(20)17-11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H2,16,21)(H2,17,18,20)
InChIKeyYQYNTRPCXWMQRY-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea

1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea (PubChem CID 61123946) has the molecular formula C14H19FN4OS and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
PubChem CID61123946
Molecular FormulaC14H19FN4OS
Molecular Weight310.40 g/mol
Exact Mass310.13
IUPAC Name1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
SMILESCN1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C14H19FN4OS/c1-19-7-5-14(6-8-19,12(16)21)18-13(20)17-11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H2,16,21)(H2,17,18,20)
InChIKeyYQYNTRPCXWMQRY-UHFFFAOYSA-N
XLogP1.70
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
CID 61123022
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 62388542
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
CID 63767680
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
CID 70952142
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide
CID 50952630
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea (CID 61123946) is 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea is CN1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1.
What is the InChIKey of 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The InChIKey is YQYNTRPCXWMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4OS/c1-19-7-5-14(6-8-19,12(16)21)18-13(20)17-11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H2,16,21)(H2,17,18,20).
What are the key properties of 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 61123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).