1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid

C21H24N2O4 — CID 122001141

IUPAC1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(Oc2ccccc2CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-15-5-4-7-18(13-15)27-19-8-3-2-6-17(19)14-22-21(26)23-11-9-16(10-12-23)20(24)25/h2-8,13,16H,9-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyOIZSUJNVVAXXBU-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.79
Rot. Bonds5

About 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122001141) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122001141
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(Oc2ccccc2CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-15-5-4-7-18(13-15)27-19-8-3-2-6-17(19)14-22-21(26)23-11-9-16(10-12-23)20(24)25/h2-8,13,16H,9-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyOIZSUJNVVAXXBU-UHFFFAOYSA-N
XLogP3.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122001134
N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86897083
1-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005892
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86896713
N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
CID 146083553
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
1-[(2-phenylsulfanylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001277
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122001141) is 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid is Cc1cccc(Oc2ccccc2CNC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OIZSUJNVVAXXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-5-4-7-18(13-15)27-19-8-3-2-6-17(19)14-22-21(26)23-11-9-16(10-12-23)20(24)25/h2-8,13,16H,9-12,14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).