2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid

C15H19FN2O3 — CID 62689801

IUPAC2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-6-2-1-5-12(13)9-17-15(21)18-7-3-4-11(10-18)8-14(19)20/h1-2,5-6,11H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyUGSNHYVYBKUFHP-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62689801) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID62689801
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-6-2-1-5-12(13)9-17-15(21)18-7-3-4-11(10-18)8-14(19)20/h1-2,5-6,11H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyUGSNHYVYBKUFHP-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62675042
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
ethyl 3-[[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]propanoate
CID 25457189
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid (CID 62689801) is 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCc2ccccc2F)C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is UGSNHYVYBKUFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-6-2-1-5-12(13)9-17-15(21)18-7-3-4-11(10-18)8-14(19)20/h1-2,5-6,11H,3-4,7-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).