N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H26FN3O2 — CID 68873254

IUPACN-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@]1(c2ccc(F)cc2)CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H26FN3O2/c20-14-4-2-13(3-5-14)19(8-1-9-21-12-19)22-18(25)23-15-6-7-16(23)11-17(24)10-15/h2-5,15-17,21,24H,1,6-12H2,(H,22,25)/t15?,16?,17?,19-/m1/s1
InChIKeyHJMRCXVALPXAEE-MAGNIPBMSA-N
MW347.43 g/mol
LogP2.10
Rot. Bonds2

About N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 68873254) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID68873254
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@]1(c2ccc(F)cc2)CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H26FN3O2/c20-14-4-2-13(3-5-14)19(8-1-9-21-12-19)22-18(25)23-15-6-7-16(23)11-17(24)10-15/h2-5,15-17,21,24H,1,6-12H2,(H,22,25)/t15?,16?,17?,19-/m1/s1
InChIKeyHJMRCXVALPXAEE-MAGNIPBMSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 68873254) is N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(N[C@]1(c2ccc(F)cc2)CCCNC1)N1C2CCC1CC(O)C2.
What is the InChIKey of N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is HJMRCXVALPXAEE-MAGNIPBMSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-14-4-2-13(3-5-14)19(8-1-9-21-12-19)22-18(25)23-15-6-7-16(23)11-17(24)10-15/h2-5,15-17,21,24H,1,6-12H2,(H,22,25)/t15?,16?,17?,19-/m1/s1.
What are the key properties of N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 68873254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).