N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide

C20H32N4O2S — CID 12005511

IUPACN-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCC(N(C)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H32N4O2S/c1-22(11-12-23-13-15-26-16-14-23)18-7-9-24(10-8-18)20(27)21-17-3-5-19(25-2)6-4-17/h3-6,18H,7-16H2,1-2H3,(H,21,27)
InChIKeyLNBKAEFSZBEOFI-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.12
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide

N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide (PubChem CID 12005511) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide
PubChem CID12005511
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC NameN-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCC(N(C)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H32N4O2S/c1-22(11-12-23-13-15-26-16-14-23)18-7-9-24(10-8-18)20(27)21-17-3-5-19(25-2)6-4-17/h3-6,18H,7-16H2,1-2H3,(H,21,27)
InChIKeyLNBKAEFSZBEOFI-UHFFFAOYSA-N
XLogP2.12
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide (CID 12005511) is N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide is COc1ccc(NC(=S)N2CCC(N(C)CCN3CCOCC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide?
The InChIKey is LNBKAEFSZBEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-22(11-12-23-13-15-26-16-14-23)18-7-9-24(10-8-18)20(27)21-17-3-5-19(25-2)6-4-17/h3-6,18H,7-16H2,1-2H3,(H,21,27).
What are the key properties of N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide?
N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide has a molecular weight of 392.57 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[methyl(2-morpholin-4-ylethyl)amino]piperidine-1-carbothioamide is sourced from PubChem (CID 12005511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).