[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid

C22H25FN2O3 — CID 139979598

IUPAC[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c23-19-8-6-17(7-9-19)21(26)18-10-12-25(13-11-18)15-20(24-22(27)28)14-16-4-2-1-3-5-16/h1-9,18,20,24H,10-15H2,(H,27,28)/t20-/m1/s1
InChIKeyCPAGQBQOXRNOKQ-HXUWFJFHSA-N
MW384.45 g/mol
LogP3.60
Rot. Bonds7

About [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid

[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid (PubChem CID 139979598) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid
PubChem CID139979598
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c23-19-8-6-17(7-9-19)21(26)18-10-12-25(13-11-18)15-20(24-22(27)28)14-16-4-2-1-3-5-16/h1-9,18,20,24H,10-15H2,(H,27,28)/t20-/m1/s1
InChIKeyCPAGQBQOXRNOKQ-HXUWFJFHSA-N
XLogP3.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid (CID 139979598) is [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid is O=C(O)N[C@H](Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is CPAGQBQOXRNOKQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-19-8-6-17(7-9-19)21(26)18-10-12-25(13-11-18)15-20(24-22(27)28)14-16-4-2-1-3-5-16/h1-9,18,20,24H,10-15H2,(H,27,28)/t20-/m1/s1.
What are the key properties of [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid?
[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 384.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 139979598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).