N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide

C18H26N2O2S — CID 60547227

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H26N2O2S/c1-12-9-13(2)11-20(10-12)18(22)15-7-5-6-8-16(15)19-17(21)14(3)23-4/h5-8,12-14H,9-11H2,1-4H3,(H,19,21)
InChIKeyLDCSIULZBFUBHZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide (PubChem CID 60547227) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
PubChem CID60547227
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H26N2O2S/c1-12-9-13(2)11-20(10-12)18(22)15-7-5-6-8-16(15)19-17(21)14(3)23-4/h5-8,12-14H,9-11H2,1-4H3,(H,19,21)
InChIKeyLDCSIULZBFUBHZ-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
2-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119179186
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 55677649
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide (CID 60547227) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide?
The InChIKey is LDCSIULZBFUBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-12-9-13(2)11-20(10-12)18(22)15-7-5-6-8-16(15)19-17(21)14(3)23-4/h5-8,12-14H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide has a molecular weight of 334.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 60547227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).