4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C16H22ClN3O2S — CID 91921358

IUPAC4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C16H22ClN3O2S/c1-18-16(22)19-7-4-11(5-8-19)12-6-9-20(10-12)15(21)13-2-3-14(17)23-13/h2-3,11-12H,4-10H2,1H3,(H,18,22)
InChIKeyPHJDXSYNVGFULJ-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.91
Rot. Bonds2

About 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91921358) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91921358
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C16H22ClN3O2S/c1-18-16(22)19-7-4-11(5-8-19)12-6-9-20(10-12)15(21)13-2-3-14(17)23-13/h2-3,11-12H,4-10H2,1H3,(H,18,22)
InChIKeyPHJDXSYNVGFULJ-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91921358) is 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1.
What is the InChIKey of 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is PHJDXSYNVGFULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-18-16(22)19-7-4-11(5-8-19)12-6-9-20(10-12)15(21)13-2-3-14(17)23-13/h2-3,11-12H,4-10H2,1H3,(H,18,22).
What are the key properties of 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 355.89 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91921358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).