N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide

C19H28N2O2S — CID 95551255

IUPACN-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCSc1ccc(C(=O)[C@@H]2CCCN(CC(=O)N(C)C(C)C)C2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14(2)20(3)18(22)13-21-11-5-6-16(12-21)19(23)15-7-9-17(24-4)10-8-15/h7-10,14,16H,5-6,11-13H2,1-4H3/t16-/m1/s1
InChIKeyYDKICABGOZQWCL-MRXNPFEDSA-N
MW348.51 g/mol
LogP3.17
Rot. Bonds6

About N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide

N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 95551255) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID95551255
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCSc1ccc(C(=O)[C@@H]2CCCN(CC(=O)N(C)C(C)C)C2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14(2)20(3)18(22)13-21-11-5-6-16(12-21)19(23)15-7-9-17(24-4)10-8-15/h7-10,14,16H,5-6,11-13H2,1-4H3/t16-/m1/s1
InChIKeyYDKICABGOZQWCL-MRXNPFEDSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95468973
[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 25460275
[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42565343
[(3S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42383075
[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42210689
[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 45217605
1-[4-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 42113808
N-[2-[[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]methyl]quinolin-6-yl]acetamide
CID 42198097
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42380145
[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42380142

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 95551255) is N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide is CSc1ccc(C(=O)[C@@H]2CCCN(CC(=O)N(C)C(C)C)C2)cc1.
What is the InChIKey of N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YDKICABGOZQWCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14(2)20(3)18(22)13-21-11-5-6-16(12-21)19(23)15-7-9-17(24-4)10-8-15/h7-10,14,16H,5-6,11-13H2,1-4H3/t16-/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide?
N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 348.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95551255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).