2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

C15H22N4O2S — CID 38939794

IUPAC2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCCCCSCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C15H22N4O2S/c1-2-3-8-22-11-15(21)18-12-4-5-13(17-9-12)19-7-6-16-14(20)10-19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,16,20)(H,18,21)
InChIKeyYDVQTIUAEKOWQQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.49
Rot. Bonds7

About 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 38939794) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID38939794
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCCCCSCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C15H22N4O2S/c1-2-3-8-22-11-15(21)18-12-4-5-13(17-9-12)19-7-6-16-14(20)10-19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,16,20)(H,18,21)
InChIKeyYDVQTIUAEKOWQQ-UHFFFAOYSA-N
XLogP1.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939648
3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 56795798
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 38940722
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34588783
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (CID 38939794) is 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is CCCCSCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is YDVQTIUAEKOWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-2-3-8-22-11-15(21)18-12-4-5-13(17-9-12)19-7-6-16-14(20)10-19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 38939794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).