N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide

C21H23ClN2O2S — CID 46443244

IUPACN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)C1CC1
InChIInChI=1S/C21H23ClN2O2S/c22-17-5-1-3-14-4-2-6-18(20(14)17)27-13-19(25)24-11-9-16(10-12-24)23-21(26)15-7-8-15/h1-6,15-16H,7-13H2,(H,23,26)
InChIKeyUVVIRPJGXJPBJS-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.10
Rot. Bonds5

About N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46443244) has the molecular formula C21H23ClN2O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46443244
Molecular FormulaC21H23ClN2O2S
Molecular Weight402.95 g/mol
Exact Mass402.12
IUPAC NameN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)C1CC1
InChIInChI=1S/C21H23ClN2O2S/c22-17-5-1-3-14-4-2-6-18(20(14)17)27-13-19(25)24-11-9-16(10-12-24)23-21(26)15-7-8-15/h1-6,15-16H,7-13H2,(H,23,26)
InChIKeyUVVIRPJGXJPBJS-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
CID 33308748
2-(8-chloronaphthalen-1-yl)sulfanyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561971
2-(8-chloronaphthalen-1-yl)sulfanyl-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86877651
N-[1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46461940
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide
CID 3423376
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
2-(2-chlorophenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119544896
N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 7945317

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46443244) is N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)C1CC1.
What is the InChIKey of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is UVVIRPJGXJPBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2S/c22-17-5-1-3-14-4-2-6-18(20(14)17)27-13-19(25)24-11-9-16(10-12-24)23-21(26)15-7-8-15/h1-6,15-16H,7-13H2,(H,23,26).
What are the key properties of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 402.95 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46443244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).