(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C21H30FN3O2 — CID 124688498

IUPAC(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C21H30FN3O2/c1-14(24-20(27)18-13-21(18)6-8-23-9-7-21)17-12-15(22)2-3-19(17)25-10-4-16(26)5-11-25/h2-3,12,14,16,18,23,26H,4-11,13H2,1H3,(H,24,27)/t14-,18+/m1/s1
InChIKeyYBCFYFKMHUMSSC-KDOFPFPSSA-N
MW375.49 g/mol
LogP2.35
Rot. Bonds4

About (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124688498) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124688498
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C21H30FN3O2/c1-14(24-20(27)18-13-21(18)6-8-23-9-7-21)17-12-15(22)2-3-19(17)25-10-4-16(26)5-11-25/h2-3,12,14,16,18,23,26H,4-11,13H2,1H3,(H,24,27)/t14-,18+/m1/s1
InChIKeyYBCFYFKMHUMSSC-KDOFPFPSSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 124688498) is (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is YBCFYFKMHUMSSC-KDOFPFPSSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-14(24-20(27)18-13-21(18)6-8-23-9-7-21)17-12-15(22)2-3-19(17)25-10-4-16(26)5-11-25/h2-3,12,14,16,18,23,26H,4-11,13H2,1H3,(H,24,27)/t14-,18+/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).