4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride

C18H28ClN3O4S — CID 119462339

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-25-16-7-6-15(18(22)20-13-14-5-4-8-19-12-14)11-17(16)26(23,24)21-9-2-3-10-21;/h6-7,11,14,19H,2-5,8-10,12-13H2,1H3,(H,20,22);1H
InChIKeyRKPRNYUZCGGJRB-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.63
Rot. Bonds6

About 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride

4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119462339) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119462339
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-25-16-7-6-15(18(22)20-13-14-5-4-8-19-12-14)11-17(16)26(23,24)21-9-2-3-10-21;/h6-7,11,14,19H,2-5,8-10,12-13H2,1H3,(H,20,22);1H
InChIKeyRKPRNYUZCGGJRB-UHFFFAOYSA-N
XLogP1.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 120831442
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18120867
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride (CID 119462339) is 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride is COc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is RKPRNYUZCGGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-25-16-7-6-15(18(22)20-13-14-5-4-8-19-12-14)11-17(16)26(23,24)21-9-2-3-10-21;/h6-7,11,14,19H,2-5,8-10,12-13H2,1H3,(H,20,22);1H.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119462339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).