2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide

C18H27N3O3S — CID 24962602

IUPAC2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCCC1
InChIInChI=1S/C18H27N3O3S/c22-18(19-20-11-5-2-6-12-20)14-16-8-7-13-21(15-16)25(23,24)17-9-3-1-4-10-17/h1,3-4,9-10,16H,2,5-8,11-15H2,(H,19,22)
InChIKeyVJNNTKFZWHNPQB-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide

2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide (PubChem CID 24962602) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
PubChem CID24962602
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCCC1
InChIInChI=1S/C18H27N3O3S/c22-18(19-20-11-5-2-6-12-20)14-16-8-7-13-21(15-16)25(23,24)17-9-3-1-4-10-17/h1,3-4,9-10,16H,2,5-8,11-15H2,(H,19,22)
InChIKeyVJNNTKFZWHNPQB-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 24958593
N'-[2-[1-(benzenesulfonyl)piperidin-3-yl]acetyl]adamantane-1-carbohydrazide
CID 24959328
2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylpiperidin-1-yl)acetamide
CID 69169149
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]acetyl]amino]piperidine-3-carboxylic acid
CID 69168763
2-[[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726975
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide (CID 24962602) is 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide is O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCCC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide?
The InChIKey is VJNNTKFZWHNPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-18(19-20-11-5-2-6-12-20)14-16-8-7-13-21(15-16)25(23,24)17-9-3-1-4-10-17/h1,3-4,9-10,16H,2,5-8,11-15H2,(H,19,22).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide?
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide has a molecular weight of 365.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide is sourced from PubChem (CID 24962602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).