N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C16H29N3O3S — CID 45234950

IUPACN-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-23-12-2-5-17-16(21)14-3-4-15(20)19(13-14)7-6-18-8-10-22-11-9-18/h14H,2-13H2,1H3,(H,17,21)
InChIKeyIYPFSTDVVDWBPV-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.43
Rot. Bonds8

About N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45234950) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45234950
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-23-12-2-5-17-16(21)14-3-4-15(20)19(13-14)7-6-18-8-10-22-11-9-18/h14H,2-13H2,1H3,(H,17,21)
InChIKeyIYPFSTDVVDWBPV-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.43
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

N-(2-morpholin-4-ylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236583
1-(ethylsulfonyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide
CID 16490204
1-(Morpholine-4-sulfonyl)-N-[3-(propylsulfanyl)propyl]piperidine-3-carboxamide
CID 22552790
N-[2-(methylthio)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 45172159
1-[2-(4-Morpholinyl)ethyl]-5-(4-thiomorpholinylcarbonyl)-2-piperidinone
CID 45175347
1-(2-methoxyethyl)-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45182901
1-(2-Methoxyethyl)-5-(4-thiomorpholinylcarbonyl)-2-piperidinone
CID 45198542
(+/-)-2-[(Acetylthio)methyl]-4-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide
CID 13017558
N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 18072626
(3S)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 28163565
2-[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-methyl-5-oxopentan-2-yl]sulfanyl-N-methylacetamide
CID 90196640
2-Methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione
CID 173096763

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 45234950) is N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is CSCCCNC(=O)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is IYPFSTDVVDWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-23-12-2-5-17-16(21)14-3-4-15(20)19(13-14)7-6-18-8-10-22-11-9-18/h14H,2-13H2,1H3,(H,17,21).
What are the key properties of N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45234950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).