N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide

C24H30N2O3S — CID 25301291

IUPACN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1
InChIInChI=1S/C24H30N2O3S/c1-17-15-19(29-2)11-12-21(17)25-23(27)13-10-18-7-6-14-26(16-18)24(28)20-8-4-5-9-22(20)30-3/h4-5,8-9,11-12,15,18H,6-7,10,13-14,16H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyDJSWSNZNTAGGEM-SFHVURJKSA-N
MW426.58 g/mol
LogP5.00
Rot. Bonds7

About N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide (PubChem CID 25301291) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
PubChem CID25301291
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1
InChIInChI=1S/C24H30N2O3S/c1-17-15-19(29-2)11-12-21(17)25-23(27)13-10-18-7-6-14-26(16-18)24(28)20-8-4-5-9-22(20)30-3/h4-5,8-9,11-12,15,18H,6-7,10,13-14,16H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyDJSWSNZNTAGGEM-SFHVURJKSA-N
XLogP5.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25486755
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
[3-(2-bromoethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 80670099

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide (CID 25301291) is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide?
The InChIKey is DJSWSNZNTAGGEM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17-15-19(29-2)11-12-21(17)25-23(27)13-10-18-7-6-14-26(16-18)24(28)20-8-4-5-9-22(20)30-3/h4-5,8-9,11-12,15,18H,6-7,10,13-14,16H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide has a molecular weight of 426.58 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 25301291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).