N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide

C13H23N3O3S — CID 114627973

IUPACN-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CSC1CCNCC1
InChIInChI=1S/C13H23N3O3S/c1-14-13(18)11-8-19-7-6-16(11)12(17)9-20-10-2-4-15-5-3-10/h10-11,15H,2-9H2,1H3,(H,14,18)
InChIKeyCDHAJRFXMODUBY-UHFFFAOYSA-N
MW301.41 g/mol
LogP-0.56
Rot. Bonds4

About N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide

N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide (PubChem CID 114627973) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide
PubChem CID114627973
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CSC1CCNCC1
InChIInChI=1S/C13H23N3O3S/c1-14-13(18)11-8-19-7-6-16(11)12(17)9-20-10-2-4-15-5-3-10/h10-11,15H,2-9H2,1H3,(H,14,18)
InChIKeyCDHAJRFXMODUBY-UHFFFAOYSA-N
XLogP-0.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
N-methyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83100626
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide (CID 114627973) is N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)CSC1CCNCC1.
What is the InChIKey of N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide?
The InChIKey is CDHAJRFXMODUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-14-13(18)11-8-19-7-6-16(11)12(17)9-20-10-2-4-15-5-3-10/h10-11,15H,2-9H2,1H3,(H,14,18).
What are the key properties of N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide?
N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide is sourced from PubChem (CID 114627973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).