4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide

C26H30N4O3S — CID 55784082

IUPAC4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C26H30N4O3S/c31-26(28-22-10-11-23-20(18-22)8-7-13-27-23)21-9-12-24(29-14-3-1-4-15-29)25(19-21)34(32,33)30-16-5-2-6-17-30/h7-13,18-19H,1-6,14-17H2,(H,28,31)
InChIKeyCRKPZWXBVFQZIJ-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.65
Rot. Bonds5

About 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide (PubChem CID 55784082) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
PubChem CID55784082
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C26H30N4O3S/c31-26(28-22-10-11-23-20(18-22)8-7-13-27-23)21-9-12-24(29-14-3-1-4-15-29)25(19-21)34(32,33)30-16-5-2-6-17-30/h7-13,18-19H,1-6,14-17H2,(H,28,31)
InChIKeyCRKPZWXBVFQZIJ-UHFFFAOYSA-N
XLogP4.65
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24538191
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-quinolin-6-ylbenzamide
CID 833617
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide?
The IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide (CID 55784082) is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide?
The canonical SMILES for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide is O=C(Nc1ccc2ncccc2c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide?
The InChIKey is CRKPZWXBVFQZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c31-26(28-22-10-11-23-20(18-22)8-7-13-27-23)21-9-12-24(29-14-3-1-4-15-29)25(19-21)34(32,33)30-16-5-2-6-17-30/h7-13,18-19H,1-6,14-17H2,(H,28,31).
What are the key properties of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide?
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide has a molecular weight of 478.62 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 55784082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).