N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide

C25H33N3O3S — CID 55715197

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)C1
InChIInChI=1S/C25H33N3O3S/c1-20-7-6-14-27(18-20)19-21-10-12-23(13-11-21)26-25(29)22-8-5-9-24(17-22)32(30,31)28-15-3-2-4-16-28/h5,8-13,17,20H,2-4,6-7,14-16,18-19H2,1H3,(H,26,29)
InChIKeyCPQILWMXPSJJGP-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.35
Rot. Bonds6

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55715197) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55715197
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)C1
InChIInChI=1S/C25H33N3O3S/c1-20-7-6-14-27(18-20)19-21-10-12-23(13-11-21)26-25(29)22-8-5-9-24(17-22)32(30,31)28-15-3-2-4-16-28/h5,8-13,17,20H,2-4,6-7,14-16,18-19H2,1H3,(H,26,29)
InChIKeyCPQILWMXPSJJGP-UHFFFAOYSA-N
XLogP4.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55715197) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide is CC1CCCN(Cc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CPQILWMXPSJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-20-7-6-14-27(18-20)19-21-10-12-23(13-11-21)26-25(29)22-8-5-9-24(17-22)32(30,31)28-15-3-2-4-16-28/h5,8-13,17,20H,2-4,6-7,14-16,18-19H2,1H3,(H,26,29).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 455.62 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55715197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).