N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C17H25N3O2S — CID 91910207

IUPACN-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c1-18-17(22)19-6-2-14(3-7-19)15-4-8-20(11-15)16(21)10-13-5-9-23-12-13/h5,9,12,14-15H,2-4,6-8,10-11H2,1H3,(H,18,22)
InChIKeyWBVGGPSQNOZBPN-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91910207) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91910207
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c1-18-17(22)19-6-2-14(3-7-19)15-4-8-20(11-15)16(21)10-13-5-9-23-12-13/h5,9,12,14-15H,2-4,6-8,10-11H2,1H3,(H,18,22)
InChIKeyWBVGGPSQNOZBPN-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-[1-(3-thienylacetyl)piperidin-4-yl]propanamide
CID 23723469
1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
1-[1-(3-Thiophen-3-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 48416428
N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 53498064
1-[1-(3-Thiophen-3-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 53512558
1-(2,9-Diazaspiro[4.5]decan-2-yl)-2-thiophen-3-ylethanone
CID 172434200
Methyl 4-((2-(thiophen-3-yl)acetamido)methyl)piperidine-1-carboxylate
CID 71806803
1-[4-(Thiophen-3-YL)piperidine-1-carbonyl]imidazolidin-2-one
CID 71807074
N-Methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-YL]piperidine-1-carboxamide
CID 91910188
N-methyl-4-{1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91910194
1-[4-[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91921189

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91910207) is N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)Cc3ccsc3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is WBVGGPSQNOZBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18-17(22)19-6-2-14(3-7-19)15-4-8-20(11-15)16(21)10-13-5-9-23-12-13/h5,9,12,14-15H,2-4,6-8,10-11H2,1H3,(H,18,22).
What are the key properties of N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91910207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).