6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide

C15H20N2O2S — CID 56819179

IUPAC6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide
SMILESCc1ccc(/C=C/C(=O)N2CC(C(N)=O)CCC2C)s1
InChIInChI=1S/C15H20N2O2S/c1-10-3-5-12(15(16)19)9-17(10)14(18)8-7-13-6-4-11(2)20-13/h4,6-8,10,12H,3,5,9H2,1-2H3,(H2,16,19)/b8-7+
InChIKeyZOVVHCCCNXKXDG-BQYQJAHWSA-N
MW292.40 g/mol
LogP2.18
Rot. Bonds3

About 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide

6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide (PubChem CID 56819179) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide
PubChem CID56819179
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide
SMILESCc1ccc(/C=C/C(=O)N2CC(C(N)=O)CCC2C)s1
InChIInChI=1S/C15H20N2O2S/c1-10-3-5-12(15(16)19)9-17(10)14(18)8-7-13-6-4-11(2)20-13/h4,6-8,10,12H,3,5,9H2,1-2H3,(H2,16,19)/b8-7+
InChIKeyZOVVHCCCNXKXDG-BQYQJAHWSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-1-[(Z)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 100841603
(3R,6R)-6-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94197977
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 115343364
(3S,6R)-1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 94636248
(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 129433640
(3S,6R)-1-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95581613
(3S,6R)-1-[(Z)-3-(4-cyanophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 94636235
(3R,6R)-1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95146129
(3R,6R)-6-methyl-1-[(Z)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]piperidine-3-carboxamide
CID 100849386
1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 56819172
(3R,6R)-6-methyl-1-[(E)-3-(2-phenyltriazol-4-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 94636261
6-methyl-1-[(E)-3-(2-phenyltriazol-4-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 56819173

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide (CID 56819179) is 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide is Cc1ccc(/C=C/C(=O)N2CC(C(N)=O)CCC2C)s1.
What is the InChIKey of 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is ZOVVHCCCNXKXDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-3-5-12(15(16)19)9-17(10)14(18)8-7-13-6-4-11(2)20-13/h4,6-8,10,12H,3,5,9H2,1-2H3,(H2,16,19)/b8-7+.
What are the key properties of 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide?
6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 56819179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).