2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide

C15H29N3O4S — CID 55966532

IUPAC2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H29N3O4S/c1-5-6-16-14(19)11-17-7-9-18(10-8-17)15(20)13(4)23(21,22)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyNMWXDXNRUYPTQS-UHFFFAOYSA-N
MW347.48 g/mol
LogP-0.13
Rot. Bonds7

About 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 55966532) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID55966532
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H29N3O4S/c1-5-6-16-14(19)11-17-7-9-18(10-8-17)15(20)13(4)23(21,22)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyNMWXDXNRUYPTQS-UHFFFAOYSA-N
XLogP-0.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
CID 43252897
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
CID 63336689
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide (CID 55966532) is 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is NMWXDXNRUYPTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-5-6-16-14(19)11-17-7-9-18(10-8-17)15(20)13(4)23(21,22)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 347.48 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55966532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).