1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid

C22H24N2O5 — CID 119250641

IUPAC1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-2-29-19-6-4-3-5-18(19)20(25)23-17-9-7-15(8-10-17)21(26)24-13-11-16(12-14-24)22(27)28/h3-10,16H,2,11-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyYGNYPVCXAYNXTD-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.27
Rot. Bonds6

About 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250641) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250641
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-2-29-19-6-4-3-5-18(19)20(25)23-17-9-7-15(8-10-17)21(26)24-13-11-16(12-14-24)22(27)28/h3-10,16H,2,11-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyYGNYPVCXAYNXTD-UHFFFAOYSA-N
XLogP3.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
CID 17199073
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119250641) is 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is YGNYPVCXAYNXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-29-19-6-4-3-5-18(19)20(25)23-17-9-7-15(8-10-17)21(26)24-13-11-16(12-14-24)22(27)28/h3-10,16H,2,11-14H2,1H3,(H,23,25)(H,27,28).
What are the key properties of 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 396.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).