3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C23H30N4O4S — CID 42930977

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C23H30N4O4S/c1-18-5-2-3-10-27(18)32(29,30)21-7-4-6-20(15-21)23(28)25-17-19-8-9-22(24-16-19)26-11-13-31-14-12-26/h4,6-9,15-16,18H,2-3,5,10-14,17H2,1H3,(H,25,28)
InChIKeyXOWWUMNLSOPVHF-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.41
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 42930977) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID42930977
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C23H30N4O4S/c1-18-5-2-3-10-27(18)32(29,30)21-7-4-6-20(15-21)23(28)25-17-19-8-9-22(24-16-19)26-11-13-31-14-12-26/h4,6-9,15-16,18H,2-3,5,10-14,17H2,1H3,(H,25,28)
InChIKeyXOWWUMNLSOPVHF-UHFFFAOYSA-N
XLogP2.41
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55331672
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55749828
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 42930977) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is XOWWUMNLSOPVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-18-5-2-3-10-27(18)32(29,30)21-7-4-6-20(15-21)23(28)25-17-19-8-9-22(24-16-19)26-11-13-31-14-12-26/h4,6-9,15-16,18H,2-3,5,10-14,17H2,1H3,(H,25,28).
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 458.58 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 42930977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).