N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

C18H28ClN3O3S — CID 119463506

IUPACN-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-14-15-6-5-9-19-13-15)16-7-4-8-17(12-16)25(23,24)21-10-2-1-3-11-21;/h4,7-8,12,15,19H,1-3,5-6,9-11,13-14H2,(H,20,22);1H
InChIKeyNCEBHRRUVYYMNK-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.01
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119463506) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119463506
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-14-15-6-5-9-19-13-15)16-7-4-8-17(12-16)25(23,24)21-10-2-1-3-11-21;/h4,7-8,12,15,19H,1-3,5-6,9-11,13-14H2,(H,20,22);1H
InChIKeyNCEBHRRUVYYMNK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462393
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119559224
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 119463506) is N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is NCEBHRRUVYYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c22-18(20-14-15-6-5-9-19-13-15)16-7-4-8-17(12-16)25(23,24)21-10-2-1-3-11-21;/h4,7-8,12,15,19H,1-3,5-6,9-11,13-14H2,(H,20,22);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119463506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).