1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

C24H30N2O2S — CID 110084022

IUPAC1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C24H30N2O2S/c1-4-12-25-23(28)24(10-13-26(14-11-24)22(27)18(2)3)17-19-7-5-8-20(16-19)21-9-6-15-29-21/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,25,28)
InChIKeyYREVGTSKSGZDNE-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.52
Rot. Bonds7

About 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084022) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110084022
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C24H30N2O2S/c1-4-12-25-23(28)24(10-13-26(14-11-24)22(27)18(2)3)17-19-7-5-8-20(16-19)21-9-6-15-29-21/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,25,28)
InChIKeyYREVGTSKSGZDNE-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084027
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084020
N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084047
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083793
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083794
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083896
N-prop-2-enyl-1-(pyridine-4-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232433
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229522
(3R)-N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 136735194
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 155982857
(3R)-N-prop-2-enyl-1-(pyridine-2-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 110084022) is 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YREVGTSKSGZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-4-12-25-23(28)24(10-13-26(14-11-24)22(27)18(2)3)17-19-7-5-8-20(16-19)21-9-6-15-29-21/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,25,28).
What are the key properties of 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).