2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide

C15H20N2OS — CID 82179238

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
SMILESCC1CCN(C(=O)c2ccc(CC(N)=S)cc2)CC1
InChIInChI=1S/C15H20N2OS/c1-11-6-8-17(9-7-11)15(18)13-4-2-12(3-5-13)10-14(16)19/h2-5,11H,6-10H2,1H3,(H2,16,19)
InChIKeyVIRKWRSCVDJDRD-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide

2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide (PubChem CID 82179238) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
PubChem CID82179238
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
SMILESCC1CCN(C(=O)c2ccc(CC(N)=S)cc2)CC1
InChIInChI=1S/C15H20N2OS/c1-11-6-8-17(9-7-11)15(18)13-4-2-12(3-5-13)10-14(16)19/h2-5,11H,6-10H2,1H3,(H2,16,19)
InChIKeyVIRKWRSCVDJDRD-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179234
2-[4-(3-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179236
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 24615697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide (CID 82179238) is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide is CC1CCN(C(=O)c2ccc(CC(N)=S)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide?
The InChIKey is VIRKWRSCVDJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-6-8-17(9-7-11)15(18)13-4-2-12(3-5-13)10-14(16)19/h2-5,11H,6-10H2,1H3,(H2,16,19).
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide?
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide has a molecular weight of 276.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide is sourced from PubChem (CID 82179238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).