1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid

C19H25FN2O3 — CID 119349333

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H25FN2O3/c20-17-5-1-3-14(11-17)12-21-8-2-4-16(13-21)18(23)22-9-6-15(7-10-22)19(24)25/h1,3,5,11,15-16H,2,4,6-10,12-13H2,(H,24,25)
InChIKeyBWECBXXMVOCEQP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid

1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119349333) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID119349333
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H25FN2O3/c20-17-5-1-3-14(11-17)12-21-8-2-4-16(13-21)18(23)22-9-6-15(7-10-22)19(24)25/h1,3,5,11,15-16H,2,4,6-10,12-13H2,(H,24,25)
InChIKeyBWECBXXMVOCEQP-UHFFFAOYSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid (CID 119349333) is 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is BWECBXXMVOCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-17-5-1-3-14(11-17)12-21-8-2-4-16(13-21)18(23)22-9-6-15(7-10-22)19(24)25/h1,3,5,11,15-16H,2,4,6-10,12-13H2,(H,24,25).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid?
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).