N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide

C11H18N4O3S — CID 54876998

IUPACN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-11(16)14-9-3-5-15(6-4-9)19(17,18)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13)(H,14,16)
InChIKeyRCUHHKBUOJAFRE-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.09
Rot. Bonds4

About N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide

N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 54876998) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide
PubChem CID54876998
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-11(16)14-9-3-5-15(6-4-9)19(17,18)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13)(H,14,16)
InChIKeyRCUHHKBUOJAFRE-UHFFFAOYSA-N
XLogP0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide (CID 54876998) is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is RCUHHKBUOJAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-11(16)14-9-3-5-15(6-4-9)19(17,18)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide?
N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 286.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 54876998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).