1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide

C19H29N3OS — CID 43076758

IUPAC1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)c1
InChIInChI=1S/C19H29N3OS/c1-13(2)11-20-18(23)16-6-5-7-22(12-16)19(24)21-17-9-14(3)8-15(4)10-17/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyUBHDNGZYFBDSDU-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.48
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide

1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 43076758) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID43076758
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)c1
InChIInChI=1S/C19H29N3OS/c1-13(2)11-20-18(23)16-6-5-7-22(12-16)19(24)21-17-9-14(3)8-15(4)10-17/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyUBHDNGZYFBDSDU-UHFFFAOYSA-N
XLogP3.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.48
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

1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 55791695
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 43076758) is 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide is Cc1cc(C)cc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is UBHDNGZYFBDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-13(2)11-20-18(23)16-6-5-7-22(12-16)19(24)21-17-9-14(3)8-15(4)10-17/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43076758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).