N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide

C19H29N3O2S — CID 55564403

IUPACN-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccc(CSC)cc2)CC1
InChIInChI=1S/C19H29N3O2S/c1-4-15(2)20-18(23)13-21-9-11-22(12-10-21)19(24)17-7-5-16(6-8-17)14-25-3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyFOCHAERCGKDBLN-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.22
Rot. Bonds7

About N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 55564403) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID55564403
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccc(CSC)cc2)CC1
InChIInChI=1S/C19H29N3O2S/c1-4-15(2)20-18(23)13-21-9-11-22(12-10-21)19(24)17-7-5-16(6-8-17)14-25-3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyFOCHAERCGKDBLN-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide (CID 55564403) is N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2ccc(CSC)cc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is FOCHAERCGKDBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-4-15(2)20-18(23)13-21-9-11-22(12-10-21)19(24)17-7-5-16(6-8-17)14-25-3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 363.53 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).