1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid

C17H24N2O5 — CID 122090112

IUPAC1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1OC(C)C
InChIInChI=1S/C17H24N2O5/c1-11(2)24-14-5-4-13(10-15(14)23-3)18-17(22)19-8-6-12(7-9-19)16(20)21/h4-5,10-12H,6-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIGFKMYPJRVJALD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds5

About 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122090112) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122090112
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1OC(C)C
InChIInChI=1S/C17H24N2O5/c1-11(2)24-14-5-4-13(10-15(14)23-3)18-17(22)19-8-6-12(7-9-19)16(20)21/h4-5,10-12H,6-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIGFKMYPJRVJALD-UHFFFAOYSA-N
XLogP2.81
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-[3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 154775242
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780
1-[(3,5-dimethoxy-4-propan-2-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089140
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893
1-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091808
1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090037
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122090112) is 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid is COc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1OC(C)C.
What is the InChIKey of 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IGFKMYPJRVJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(2)24-14-5-4-13(10-15(14)23-3)18-17(22)19-8-6-12(7-9-19)16(20)21/h4-5,10-12H,6-9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).