N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide

C15H22N4O2S — CID 46448693

IUPACN-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cccnc2SC)CC1
InChIInChI=1S/C15H22N4O2S/c1-3-16-13(20)11-18-7-9-19(10-8-18)15(21)12-5-4-6-17-14(12)22-2/h4-6H,3,7-11H2,1-2H3,(H,16,20)
InChIKeyRBCSUXDBTHLQAH-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.70
Rot. Bonds5

About N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 46448693) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID46448693
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cccnc2SC)CC1
InChIInChI=1S/C15H22N4O2S/c1-3-16-13(20)11-18-7-9-19(10-8-18)15(21)12-5-4-6-17-14(12)22-2/h4-6H,3,7-11H2,1-2H3,(H,16,20)
InChIKeyRBCSUXDBTHLQAH-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]propan-1-one
CID 29152168
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 56502374
2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 39569290
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810204
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
N-(2,6-diethylphenyl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 3333788
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 46448693) is N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)c2cccnc2SC)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RBCSUXDBTHLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-3-16-13(20)11-18-7-9-19(10-8-18)15(21)12-5-4-6-17-14(12)22-2/h4-6H,3,7-11H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46448693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).