1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone

C16H28N2O2S — CID 119938389

IUPAC1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C16H28N2O2S/c19-16(11-13-12-21-10-7-17-13)18-8-5-15(6-9-18)20-14-3-1-2-4-14/h13-15,17H,1-12H2
InChIKeyBPSUQABWPWUHCP-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone

1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 119938389) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID119938389
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C16H28N2O2S/c19-16(11-13-12-21-10-7-17-13)18-8-5-15(6-9-18)20-14-3-1-2-4-14/h13-15,17H,1-12H2
InChIKeyBPSUQABWPWUHCP-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone (CID 119938389) is 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is BPSUQABWPWUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c19-16(11-13-12-21-10-7-17-13)18-8-5-15(6-9-18)20-14-3-1-2-4-14/h13-15,17H,1-12H2.
What are the key properties of 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 312.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119938389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).