(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide

C20H26F3N5O3 — CID 87234429

IUPAC(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCN1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)11-13(17(29)25-31)15(26)18(30)28-9-7-27(8-10-28)16-14(20(21,22)23)3-2-6-24-16/h2-3,6,13,15,31H,4-5,7-12H2,1H3,(H,25,29)/t13-,15-/m0/s1
InChIKeyRZXHAHNSHFBKBA-ZFWWWQNUSA-N
MW441.45 g/mol
LogP1.35
Rot. Bonds3

About (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide

(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234429) has the molecular formula C20H26F3N5O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234429
Molecular FormulaC20H26F3N5O3
Molecular Weight441.45 g/mol
Exact Mass441.20
IUPAC Name(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCN1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)11-13(17(29)25-31)15(26)18(30)28-9-7-27(8-10-28)16-14(20(21,22)23)3-2-6-24-16/h2-3,6,13,15,31H,4-5,7-12H2,1H3,(H,25,29)/t13-,15-/m0/s1
InChIKeyRZXHAHNSHFBKBA-ZFWWWQNUSA-N
XLogP1.35
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (CID 87234429) is (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is CN1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is RZXHAHNSHFBKBA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)11-13(17(29)25-31)15(26)18(30)28-9-7-27(8-10-28)16-14(20(21,22)23)3-2-6-24-16/h2-3,6,13,15,31H,4-5,7-12H2,1H3,(H,25,29)/t13-,15-/m0/s1.
What are the key properties of (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).