1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide

C14H16Cl2N2O2S — CID 78784829

IUPAC1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2S/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)
InChIKeySKIROQYQBCKUMD-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide

1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 78784829) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
PubChem CID78784829
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2S/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)
InChIKeySKIROQYQBCKUMD-UHFFFAOYSA-N
XLogP2.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 119378981
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone;hydrochloride
CID 119378980
2-(2,5-dichlorophenyl)sulfanyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029410
methyl 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyrrolidine-3-carboxylate
CID 112733616
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 55313686
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 60705262
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide (CID 78784829) is 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is SKIROQYQBCKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20).
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide?
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 347.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78784829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).