N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C16H23N3O2S — CID 91910188

IUPACN-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C16H23N3O2S/c1-17-16(21)18-7-4-12(5-8-18)13-6-9-19(11-13)15(20)14-3-2-10-22-14/h2-3,10,12-13H,4-9,11H2,1H3,(H,17,21)
InChIKeyDPXOIDOENFHKSK-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.26
Rot. Bonds2

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

N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91910188) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91910188
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C16H23N3O2S/c1-17-16(21)18-7-4-12(5-8-18)13-6-9-19(11-13)15(20)14-3-2-10-22-14/h2-3,10,12-13H,4-9,11H2,1H3,(H,17,21)
InChIKeyDPXOIDOENFHKSK-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91910188) is N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3cccs3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is DPXOIDOENFHKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-17-16(21)18-7-4-12(5-8-18)13-6-9-19(11-13)15(20)14-3-2-10-22-14/h2-3,10,12-13H,4-9,11H2,1H3,(H,17,21).
What are the key properties of N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91910188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).