3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one

C17H26N2O2S — CID 119757325

IUPAC3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
SMILESCC(CC(=O)N1CCOC(c2cccs2)C1)C1CCNCC1
InChIInChI=1S/C17H26N2O2S/c1-13(14-4-6-18-7-5-14)11-17(20)19-8-9-21-15(12-19)16-3-2-10-22-16/h2-3,10,13-15,18H,4-9,11-12H2,1H3
InChIKeyUDNDAPBWXVLNOQ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.67
Rot. Bonds4

About 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one

3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one (PubChem CID 119757325) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
PubChem CID119757325
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
SMILESCC(CC(=O)N1CCOC(c2cccs2)C1)C1CCNCC1
InChIInChI=1S/C17H26N2O2S/c1-13(14-4-6-18-7-5-14)11-17(20)19-8-9-21-15(12-19)16-3-2-10-22-16/h2-3,10,13-15,18H,4-9,11-12H2,1H3
InChIKeyUDNDAPBWXVLNOQ-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
CID 120590709
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119897738
1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703775
1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 119793035
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one (CID 119757325) is 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one is CC(CC(=O)N1CCOC(c2cccs2)C1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one?
The InChIKey is UDNDAPBWXVLNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(14-4-6-18-7-5-14)11-17(20)19-8-9-21-15(12-19)16-3-2-10-22-16/h2-3,10,13-15,18H,4-9,11-12H2,1H3.
What are the key properties of 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one?
3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one has a molecular weight of 322.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 119757325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).