N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C15H23N3O3S — CID 3235908

IUPACN-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-12(2)17-15(19)13-6-9-18(10-7-13)22(20,21)14-5-4-8-16-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBNDRHGMIBIFEID-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.40
Rot. Bonds5

About N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3235908) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID3235908
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-12(2)17-15(19)13-6-9-18(10-7-13)22(20,21)14-5-4-8-16-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBNDRHGMIBIFEID-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 3235908) is N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is BNDRHGMIBIFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-12(2)17-15(19)13-6-9-18(10-7-13)22(20,21)14-5-4-8-16-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 325.43 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-butan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3235908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).