1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid

C15H17NO3 — CID 80702544

IUPAC1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1coc2ccccc12
InChIInChI=1S/C15H17NO3/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18)
InChIKeyHFVLQJNXWSKPOO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.87
Rot. Bonds3

About 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid

1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 80702544) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
PubChem CID80702544
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1coc2ccccc12
InChIInChI=1S/C15H17NO3/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18)
InChIKeyHFVLQJNXWSKPOO-UHFFFAOYSA-N
XLogP2.87
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
2-[1-(1-benzofuran-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 80702676
1-(1-benzofuran-3-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745617
1-[(1-methylindol-3-yl)methyl]azepane-2-carboxylic acid
CID 65069474
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
methyl (2S,3R)-1-(1-benzofuran-3-ylmethyl)-3-hydroxypiperidine-2-carboxylate
CID 99826372
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid (CID 80702544) is 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is HFVLQJNXWSKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18).
What are the key properties of 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid?
1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 80702544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).