(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide

C14H28N4S — CID 51627761

IUPAC(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
SMILESCNC(=S)N1CCCC[C@@H]1CCN1CCN(C)CC1
InChIInChI=1S/C14H28N4S/c1-15-14(19)18-7-4-3-5-13(18)6-8-17-11-9-16(2)10-12-17/h13H,3-12H2,1-2H3,(H,15,19)/t13-/m1/s1
InChIKeyOTZURXXOWWKYPX-CYBMUJFWSA-N
MW284.47 g/mol
LogP0.98
Rot. Bonds3

About (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide

(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide (PubChem CID 51627761) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
PubChem CID51627761
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC Name(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
SMILESCNC(=S)N1CCCC[C@@H]1CCN1CCN(C)CC1
InChIInChI=1S/C14H28N4S/c1-15-14(19)18-7-4-3-5-13(18)6-8-17-11-9-16(2)10-12-17/h13H,3-12H2,1-2H3,(H,15,19)/t13-/m1/s1
InChIKeyOTZURXXOWWKYPX-CYBMUJFWSA-N
XLogP0.98
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
CID 130647806
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
N-ethyl-2-propylpiperidine-1-carbothioamide
CID 104587652
2-[2-(azepan-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]piperidine-1-carbothioamide
CID 134113688
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
CID 125158868
2-[2-(4-methylpiperazin-1-yl)ethyl]-N-(1-phenylcyclopropyl)piperidine-1-carboxamide
CID 121496338
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
CID 134113677
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide?
The IUPAC name of (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide (CID 51627761) is (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide.
What is the SMILES notation for (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide?
The canonical SMILES for (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide is CNC(=S)N1CCCC[C@@H]1CCN1CCN(C)CC1.
What is the InChIKey of (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide?
The InChIKey is OTZURXXOWWKYPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28N4S/c1-15-14(19)18-7-4-3-5-13(18)6-8-17-11-9-16(2)10-12-17/h13H,3-12H2,1-2H3,(H,15,19)/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide?
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide has a molecular weight of 284.47 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide is sourced from PubChem (CID 51627761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).