1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

C25H26N2O3 — CID 3911315

IUPAC1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C25H26N2O3/c28-25(29)23-14-5-7-16-27(23)24(22-13-4-6-15-26-22)20-11-8-12-21(17-20)30-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23-24H,5,7,14,16,18H2,(H,28,29)
InChIKeyDACUBFUYEMRHJX-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.69
Rot. Bonds7

About 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 3911315) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
PubChem CID3911315
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C25H26N2O3/c28-25(29)23-14-5-7-16-27(23)24(22-13-4-6-15-26-22)20-11-8-12-21(17-20)30-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23-24H,5,7,14,16,18H2,(H,28,29)
InChIKeyDACUBFUYEMRHJX-UHFFFAOYSA-N
XLogP4.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3644100
1-[(3-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4011460
1-[1-benzothiophen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5133728
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3971301
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3934336
1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4291092
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (CID 3911315) is 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cccc(OCc2ccccc2)c1)c1ccccn1.
What is the InChIKey of 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is DACUBFUYEMRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-25(29)23-14-5-7-16-27(23)24(22-13-4-6-15-26-22)20-11-8-12-21(17-20)30-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23-24H,5,7,14,16,18H2,(H,28,29).
What are the key properties of 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 402.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3911315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).