1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

C24H25NO4 — CID 3506386

IUPAC1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(OCc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C24H25NO4/c26-24(27)21-9-4-5-15-25(21)23(22-10-6-16-28-22)19-11-13-20(14-12-19)29-17-18-7-2-1-3-8-18/h1-3,6-8,10-14,16,21,23H,4-5,9,15,17H2,(H,26,27)
InChIKeyDOSQFQCSPRZNLC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.89
Rot. Bonds7

About 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3506386) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3506386
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(OCc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C24H25NO4/c26-24(27)21-9-4-5-15-25(21)23(22-10-6-16-28-22)19-11-13-20(14-12-19)29-17-18-7-2-1-3-8-18/h1-3,6-8,10-14,16,21,23H,4-5,9,15,17H2,(H,26,27)
InChIKeyDOSQFQCSPRZNLC-UHFFFAOYSA-N
XLogP4.89
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4203108
1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3316117
1-[(2,6-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3267303
1-[(4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5115261
1-[(5-methylthiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3681546
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5036037
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 4281079
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3644100
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3641007
1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3911315

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 3506386) is 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(OCc2ccccc2)cc1)c1ccco1.
What is the InChIKey of 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DOSQFQCSPRZNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c26-24(27)21-9-4-5-15-25(21)23(22-10-6-16-28-22)19-11-13-20(14-12-19)29-17-18-7-2-1-3-8-18/h1-3,6-8,10-14,16,21,23H,4-5,9,15,17H2,(H,26,27).
What are the key properties of 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3506386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).