N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide

C16H23N3O3S — CID 90521514

IUPACN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-3-6-16(20)18-12-14-7-10-19(11-8-14)23(21,22)15-5-4-9-17-13-15/h2,4-5,9,13-14H,1,3,6-8,10-12H2,(H,18,20)
InChIKeyRBXLSCUPAPXRFM-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.56
Rot. Bonds7

About N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide (PubChem CID 90521514) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
PubChem CID90521514
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-3-6-16(20)18-12-14-7-10-19(11-8-14)23(21,22)15-5-4-9-17-13-15/h2,4-5,9,13-14H,1,3,6-8,10-12H2,(H,18,20)
InChIKeyRBXLSCUPAPXRFM-UHFFFAOYSA-N
XLogP1.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
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
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
(E)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90521658
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide
CID 90521618
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide?
The IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide (CID 90521514) is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide.
What is the SMILES notation for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide?
The canonical SMILES for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide is C=CCCC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide?
The InChIKey is RBXLSCUPAPXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-3-6-16(20)18-12-14-7-10-19(11-8-14)23(21,22)15-5-4-9-17-13-15/h2,4-5,9,13-14H,1,3,6-8,10-12H2,(H,18,20).
What are the key properties of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide?
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide has a molecular weight of 337.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide is sourced from PubChem (CID 90521514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).