1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide

C14H17ClN2O2S — CID 778061

IUPAC1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O2S/c15-11-1-3-12(4-2-11)20-9-13(18)17-7-5-10(6-8-17)14(16)19/h1-4,10H,5-9H2,(H2,16,19)
InChIKeyDFLCPLHKXPUTBQ-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.16
Rot. Bonds4

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

1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 778061) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID778061
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O2S/c15-11-1-3-12(4-2-11)20-9-13(18)17-7-5-10(6-8-17)14(16)19/h1-4,10H,5-9H2,(H2,16,19)
InChIKeyDFLCPLHKXPUTBQ-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide (CID 778061) is 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is DFLCPLHKXPUTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-11-1-3-12(4-2-11)20-9-13(18)17-7-5-10(6-8-17)14(16)19/h1-4,10H,5-9H2,(H2,16,19).
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 778061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).