1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide

C19H29N3O2S — CID 43076775

IUPAC1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C19H29N3O2S/c1-4-24-17-9-7-16(8-10-17)21-19(25)22-11-5-6-15(13-22)18(23)20-12-14(2)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyHWVAAWUFXARBDK-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.27
Rot. Bonds6

About 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide

1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 43076775) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID43076775
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C19H29N3O2S/c1-4-24-17-9-7-16(8-10-17)21-19(25)22-11-5-6-15(13-22)18(23)20-12-14(2)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyHWVAAWUFXARBDK-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.27
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-[(3,5-dimethylphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076758
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
ethyl 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-3-carboxylate
CID 3430005
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 2976563
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116293
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 43076775) is 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide is CCOc1ccc(NC(=S)N2CCCC(C(=O)NCC(C)C)C2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is HWVAAWUFXARBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-4-24-17-9-7-16(8-10-17)21-19(25)22-11-5-6-15(13-22)18(23)20-12-14(2)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43076775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).