(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C17H31N3O3S — CID 28768875

IUPAC(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C17H31N3O3S/c1-24-13-2-6-18-17(22)15-4-5-16(21)20(14-15)8-3-7-19-9-11-23-12-10-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyMHOLFLGKKKDAAF-OAHLLOKOSA-N
MW357.52 g/mol
LogP0.82
Rot. Bonds9

About (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 28768875) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID28768875
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC Name(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C17H31N3O3S/c1-24-13-2-6-18-17(22)15-4-5-16(21)20(14-15)8-3-7-19-9-11-23-12-10-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyMHOLFLGKKKDAAF-OAHLLOKOSA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 25279526
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 72924482
(3S)-N-(2-imidazol-1-ylethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 97146221
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
(3R)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 31015905
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 31015907
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29257686
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
(3R)-1-(2-morpholin-4-ylethyl)-6-oxo-N-(2H-tetrazol-5-ylmethyl)piperidine-3-carboxamide
CID 97142337
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56718926

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 28768875) is (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is CSCCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MHOLFLGKKKDAAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-24-13-2-6-18-17(22)15-4-5-16(21)20(14-15)8-3-7-19-9-11-23-12-10-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 28768875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).