1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one

C19H28N2OS — CID 119708943

IUPAC1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCSCC1c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H28N2OS/c1-15(16-7-9-20-10-8-16)13-19(22)21-11-12-23-14-18(21)17-5-3-2-4-6-17/h2-6,15-16,18,20H,7-14H2,1H3
InChIKeyWSEWWXGZDGIMQI-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one

1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119708943) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119708943
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCSCC1c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H28N2OS/c1-15(16-7-9-20-10-8-16)13-19(22)21-11-12-23-14-18(21)17-5-3-2-4-6-17/h2-6,15-16,18,20H,7-14H2,1H3
InChIKeyWSEWWXGZDGIMQI-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
CID 120559857
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
4-amino-3-methoxy-1-(3-phenylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 120588087
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119721910
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119695966
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119807411

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one (CID 119708943) is 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1CCSCC1c1ccccc1)C1CCNCC1.
What is the InChIKey of 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is WSEWWXGZDGIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-15(16-7-9-20-10-8-16)13-19(22)21-11-12-23-14-18(21)17-5-3-2-4-6-17/h2-6,15-16,18,20H,7-14H2,1H3.
What are the key properties of 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one has a molecular weight of 332.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119708943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).