4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide

C23H28N4O5S — CID 90521460

IUPAC4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N4O5S/c28-22(19-3-5-21(6-4-19)33(30,31)27-12-14-32-15-13-27)25-16-18-7-10-26(11-8-18)23(29)20-2-1-9-24-17-20/h1-6,9,17-18H,7-8,10-16H2,(H,25,28)
InChIKeyLWLMDKOCTIEYPT-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.38
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 90521460) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID90521460
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N4O5S/c28-22(19-3-5-21(6-4-19)33(30,31)27-12-14-32-15-13-27)25-16-18-7-10-26(11-8-18)23(29)20-2-1-9-24-17-20/h1-6,9,17-18H,7-8,10-16H2,(H,25,28)
InChIKeyLWLMDKOCTIEYPT-UHFFFAOYSA-N
XLogP1.38
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide (CID 90521460) is 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is LWLMDKOCTIEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c28-22(19-3-5-21(6-4-19)33(30,31)27-12-14-32-15-13-27)25-16-18-7-10-26(11-8-18)23(29)20-2-1-9-24-17-20/h1-6,9,17-18H,7-8,10-16H2,(H,25,28).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 90521460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).