N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

C20H29N3O3S — CID 156604820

IUPACN-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
SMILESCN(CCSc1ccccc1)C(=O)C1CNCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C20H29N3O3S/c1-22(9-12-27-18-5-3-2-4-6-18)19(24)16-13-17(15-21-14-16)20(25)23-7-10-26-11-8-23/h2-6,16-17,21H,7-15H2,1H3
InChIKeyYCIPCVFXSRBVHH-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.32
Rot. Bonds6

About N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide (PubChem CID 156604820) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
PubChem CID156604820
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
SMILESCN(CCSc1ccccc1)C(=O)C1CNCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C20H29N3O3S/c1-22(9-12-27-18-5-3-2-4-6-18)19(24)16-13-17(15-21-14-16)20(25)23-7-10-26-11-8-23/h2-6,16-17,21H,7-15H2,1H3
InChIKeyYCIPCVFXSRBVHH-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133133235
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 72862355
(3R,5S)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 72882710
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 119069905
N-methyl-2-[(3S)-oxolan-3-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 126444596
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72848218
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide (CID 156604820) is N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide is CN(CCSc1ccccc1)C(=O)C1CNCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The InChIKey is YCIPCVFXSRBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-22(9-12-27-18-5-3-2-4-6-18)19(24)16-13-17(15-21-14-16)20(25)23-7-10-26-11-8-23/h2-6,16-17,21H,7-15H2,1H3.
What are the key properties of N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 156604820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).