1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid

C21H22N2O5 — CID 119167810

IUPAC1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C21H22N2O5/c22-19(24)17-8-1-2-9-18(17)28-13-14-5-3-6-15(11-14)20(25)23-10-4-7-16(12-23)21(26)27/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H2,22,24)(H,26,27)
InChIKeyQBGQWXMQKGNSDE-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.30
Rot. Bonds6

About 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid

1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid (PubChem CID 119167810) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
PubChem CID119167810
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C21H22N2O5/c22-19(24)17-8-1-2-9-18(17)28-13-14-5-3-6-15(11-14)20(25)23-10-4-7-16(12-23)21(26)27/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H2,22,24)(H,26,27)
InChIKeyQBGQWXMQKGNSDE-UHFFFAOYSA-N
XLogP2.30
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid (CID 119167810) is 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid is NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is QBGQWXMQKGNSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-19(24)17-8-1-2-9-18(17)28-13-14-5-3-6-15(11-14)20(25)23-10-4-7-16(12-23)21(26)27/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H2,22,24)(H,26,27).
What are the key properties of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid?
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).