1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide

C15H21N3OS — CID 103196061

IUPAC1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H21N3OS/c1-17-15(19)13-3-2-8-18(10-13)9-11-4-6-12(7-5-11)14(16)20/h4-7,13H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyZIDPFWIEFPWHOO-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.28
Rot. Bonds4

About 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide

1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196061) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196061
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H21N3OS/c1-17-15(19)13-3-2-8-18(10-13)9-11-4-6-12(7-5-11)14(16)20/h4-7,13H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyZIDPFWIEFPWHOO-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.28
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

1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
1-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103198148
4-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24698734
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
4-[(3-methylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 61227184
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 103196061) is 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2ccc(C(N)=S)cc2)C1.
What is the InChIKey of 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZIDPFWIEFPWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-17-15(19)13-3-2-8-18(10-13)9-11-4-6-12(7-5-11)14(16)20/h4-7,13H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).