1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C23H30N2O3S — CID 110232260

IUPAC1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOCCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H30N2O3S/c1-24(2)22(27)23(11-6-12-25(17-23)21(26)10-13-28-3)16-18-7-4-8-19(15-18)20-9-5-14-29-20/h4-5,7-9,14-15H,6,10-13,16-17H2,1-3H3
InChIKeyAGHBJAKDWNDATR-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.69
Rot. Bonds7

About 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232260) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232260
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOCCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H30N2O3S/c1-24(2)22(27)23(11-6-12-25(17-23)21(26)10-13-28-3)16-18-7-4-8-19(15-18)20-9-5-14-29-20/h4-5,7-9,14-15H,6,10-13,16-17H2,1-3H3
InChIKeyAGHBJAKDWNDATR-UHFFFAOYSA-N
XLogP3.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232249
N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232254
(3R)-N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585147
(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604934
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605013
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
(3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605148
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 124804876
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232260) is 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is COCCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1.
What is the InChIKey of 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AGHBJAKDWNDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-24(2)22(27)23(11-6-12-25(17-23)21(26)10-13-28-3)16-18-7-4-8-19(15-18)20-9-5-14-29-20/h4-5,7-9,14-15H,6,10-13,16-17H2,1-3H3.
What are the key properties of 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).