N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C16H23N3O3S — CID 38653049

IUPACN-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(18-11-13-3-1-4-13)14-6-9-19(10-7-14)23(21,22)15-5-2-8-17-12-15/h2,5,8,12-14H,1,3-4,6-7,9-11H2,(H,18,20)
InChIKeyNSQAQXODKZVVJP-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.40
Rot. Bonds5

About N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 38653049) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID38653049
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(18-11-13-3-1-4-13)14-6-9-19(10-7-14)23(21,22)15-5-2-8-17-12-15/h2,5,8,12-14H,1,3-4,6-7,9-11H2,(H,18,20)
InChIKeyNSQAQXODKZVVJP-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 38653049) is N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCC1CCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NSQAQXODKZVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(18-11-13-3-1-4-13)14-6-9-19(10-7-14)23(21,22)15-5-2-8-17-12-15/h2,5,8,12-14H,1,3-4,6-7,9-11H2,(H,18,20).
What are the key properties of N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38653049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).