N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

C18H28ClN3O3S — CID 119425534

IUPACN-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCNC1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-16-5-4-10-19-14-16)13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21;/h6-9,16,19H,1-5,10-14H2,(H,20,22);1H
InChIKeyQKRZOSSYEYLPOF-UHFFFAOYSA-N
MW401.96 g/mol
LogP1.69
Rot. Bonds5

About N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 119425534) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID119425534
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCNC1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-16-5-4-10-19-14-16)13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21;/h6-9,16,19H,1-5,10-14H2,(H,20,22);1H
InChIKeyQKRZOSSYEYLPOF-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
CID 119489160
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451053
1-(4-nitrophenyl)sulfonyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119424562
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (CID 119425534) is N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is QKRZOSSYEYLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c22-18(20-16-5-4-10-19-14-16)13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21;/h6-9,16,19H,1-5,10-14H2,(H,20,22);1H.
What are the key properties of N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119425534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).