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

C22H28N2O2S — CID 110232254

IUPACN,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H28N2O2S/c1-4-20(25)24-12-7-11-22(16-24,21(26)23(2)3)15-17-8-5-9-18(14-17)19-10-6-13-27-19/h5-6,8-10,13-14H,4,7,11-12,15-16H2,1-3H3
InChIKeyCNMNEZGRPYHXPF-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.06
Rot. Bonds5

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

N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232254) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232254
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H28N2O2S/c1-4-20(25)24-12-7-11-22(16-24,21(26)23(2)3)15-17-8-5-9-18(14-17)19-10-6-13-27-19/h5-6,8-10,13-14H,4,7,11-12,15-16H2,1-3H3
InChIKeyCNMNEZGRPYHXPF-UHFFFAOYSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585147
1-butanoyl-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232249
1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232260
(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604934
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605013
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
(3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605148
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(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 N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232254) is N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CCC(=O)N1CCCC(Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CNMNEZGRPYHXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-4-20(25)24-12-7-11-22(16-24,21(26)23(2)3)15-17-8-5-9-18(14-17)19-10-6-13-27-19/h5-6,8-10,13-14H,4,7,11-12,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).