N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide

C17H26N4OS — CID 91839263

IUPACN-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(N2CCSCC2)CC1)Nc1cccnc1
InChIInChI=1S/C17H26N4OS/c22-17(19-15-2-1-6-18-14-15)5-9-20-7-3-16(4-8-20)21-10-12-23-13-11-21/h1-2,6,14,16H,3-5,7-13H2,(H,19,22)
InChIKeyYJVNYGOWDBWQEM-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.92
Rot. Bonds5

About N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide

N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide (PubChem CID 91839263) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
PubChem CID91839263
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(N2CCSCC2)CC1)Nc1cccnc1
InChIInChI=1S/C17H26N4OS/c22-17(19-15-2-1-6-18-14-15)5-9-20-7-3-16(4-8-20)21-10-12-23-13-11-21/h1-2,6,14,16H,3-5,7-13H2,(H,19,22)
InChIKeyYJVNYGOWDBWQEM-UHFFFAOYSA-N
XLogP1.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408
3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
CID 91840850
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91833234
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093005
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide (CID 91839263) is N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide is O=C(CCN1CCC(N2CCSCC2)CC1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The InChIKey is YJVNYGOWDBWQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c22-17(19-15-2-1-6-18-14-15)5-9-20-7-3-16(4-8-20)21-10-12-23-13-11-21/h1-2,6,14,16H,3-5,7-13H2,(H,19,22).
What are the key properties of N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide has a molecular weight of 334.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 91839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).