N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

C18H26N4O5S — CID 71786370

IUPACN'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C18H26N4O5S/c23-17(18(24)21-12-15-3-2-10-27-15)20-11-14-5-8-22(9-6-14)28(25,26)16-4-1-7-19-13-16/h1,4,7,13-15H,2-3,5-6,8-12H2,(H,20,23)(H,21,24)
InChIKeyVTFUGLBZVYVDIC-UHFFFAOYSA-N
MW410.50 g/mol
LogP-0.11
Rot. Bonds6

About N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786370) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
PubChem CID71786370
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC NameN'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C18H26N4O5S/c23-17(18(24)21-12-15-3-2-10-27-15)20-11-14-5-8-22(9-6-14)28(25,26)16-4-1-7-19-13-16/h1,4,7,13-15H,2-3,5-6,8-12H2,(H,20,23)(H,21,24)
InChIKeyVTFUGLBZVYVDIC-UHFFFAOYSA-N
XLogP-0.11
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N'-(2-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521058
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786358
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N'-[4-(dimethylamino)phenyl]-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521084
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (CID 71786370) is N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The InChIKey is VTFUGLBZVYVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c23-17(18(24)21-12-15-3-2-10-27-15)20-11-14-5-8-22(9-6-14)28(25,26)16-4-1-7-19-13-16/h1,4,7,13-15H,2-3,5-6,8-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide has a molecular weight of 410.50 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).