1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide

C20H29F2N3O4S — CID 10411250

IUPAC1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
SMILESCC(F)(F)CCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCCC3)CC2)nc1
InChIInChI=1S/C20H29F2N3O4S/c1-19(21,22)11-6-15-4-5-17(23-14-15)16-7-12-25(13-8-16)30(28,29)20(18(26)24-27)9-2-3-10-20/h4-5,14,16,27H,2-3,6-13H2,1H3,(H,24,26)
InChIKeyCHGUXLRJWKIVOI-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.00
Rot. Bonds7

About 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide

1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide (PubChem CID 10411250) has the molecular formula C20H29F2N3O4S and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
PubChem CID10411250
Molecular FormulaC20H29F2N3O4S
Molecular Weight445.53 g/mol
Exact Mass445.18
IUPAC Name1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
SMILESCC(F)(F)CCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCCC3)CC2)nc1
InChIInChI=1S/C20H29F2N3O4S/c1-19(21,22)11-6-15-4-5-17(23-14-15)16-7-12-25(13-8-16)30(28,29)20(18(26)24-27)9-2-3-10-20/h4-5,14,16,27H,2-3,6-13H2,1H3,(H,24,26)
InChIKeyCHGUXLRJWKIVOI-UHFFFAOYSA-N
XLogP3.00
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide (CID 10411250) is 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide is CC(F)(F)CCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCCC3)CC2)nc1.
What is the InChIKey of 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is CHGUXLRJWKIVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O4S/c1-19(21,22)11-6-15-4-5-17(23-14-15)16-7-12-25(13-8-16)30(28,29)20(18(26)24-27)9-2-3-10-20/h4-5,14,16,27H,2-3,6-13H2,1H3,(H,24,26).
What are the key properties of 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 10411250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).