1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide

C15H19ClN2O2S — CID 654242

IUPAC1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2S/c16-13-4-2-1-3-12(13)9-21-10-14(19)18-7-5-11(6-8-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyLCXZPKXFBRDLHA-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide

1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 654242) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
PubChem CID654242
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2S/c16-13-4-2-1-3-12(13)9-21-10-14(19)18-7-5-11(6-8-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyLCXZPKXFBRDLHA-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide (CID 654242) is 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide?
The InChIKey is LCXZPKXFBRDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-13-4-2-1-3-12(13)9-21-10-14(19)18-7-5-11(6-8-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20).
What are the key properties of 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide?
1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 654242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).