2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide

C16H25N3S — CID 63342490

IUPAC2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
SMILESCC(C)(C(N)=S)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3S/c1-16(2,15(17)20)19-12-10-18(11-13-19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,17,20)
InChIKeyWFILVPRHFSGNKF-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.91
Rot. Bonds5

About 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide

2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide (PubChem CID 63342490) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
PubChem CID63342490
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
SMILESCC(C)(C(N)=S)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3S/c1-16(2,15(17)20)19-12-10-18(11-13-19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,17,20)
InChIKeyWFILVPRHFSGNKF-UHFFFAOYSA-N
XLogP1.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.91
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-methyl-2-[4-(3-phenylpropyl)piperazin-1-yl]propanethioamide
CID 63342485
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
CID 82898824
2-methyl-2-[4-(2-phenylacetyl)piperazin-1-yl]propanethioamide
CID 63343992
2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342094
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342150
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536
2-[4-(2-phenylethyl)piperazin-1-yl]pentanethioamide
CID 63341932
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide?
The IUPAC name of 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide (CID 63342490) is 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide.
What is the SMILES notation for 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide?
The canonical SMILES for 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide is CC(C)(C(N)=S)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide?
The InChIKey is WFILVPRHFSGNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-16(2,15(17)20)19-12-10-18(11-13-19)9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,17,20).
What are the key properties of 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide?
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide has a molecular weight of 291.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide is sourced from PubChem (CID 63342490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).