3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid

C15H20N2O4 — CID 62019341

IUPAC3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H20N2O4/c1-21-13-5-4-10(15(19)20)7-12(13)9-17-6-2-3-11(8-17)14(16)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyIPRNBXVOZUXKCC-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.09
Rot. Bonds5

About 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid

3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid (PubChem CID 62019341) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
PubChem CID62019341
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H20N2O4/c1-21-13-5-4-10(15(19)20)7-12(13)9-17-6-2-3-11(8-17)14(16)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyIPRNBXVOZUXKCC-UHFFFAOYSA-N
XLogP1.09
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid (CID 62019341) is 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid?
The InChIKey is IPRNBXVOZUXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-5-4-10(15(19)20)7-12(13)9-17-6-2-3-11(8-17)14(16)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid?
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid is sourced from PubChem (CID 62019341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).