1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C21H22N2O5 — CID 119251150

IUPAC1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O5/c1-14-7-8-16(13-17(14)22-18(24)15-5-3-2-4-6-15)19(25)23-11-9-21(28,10-12-23)20(26)27/h2-8,13,28H,9-12H2,1H3,(H,22,24)(H,26,27)
InChIKeyQPZFTRNNCJDNJT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251150) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251150
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O5/c1-14-7-8-16(13-17(14)22-18(24)15-5-3-2-4-6-15)19(25)23-11-9-21(28,10-12-23)20(26)27/h2-8,13,28H,9-12H2,1H3,(H,22,24)(H,26,27)
InChIKeyQPZFTRNNCJDNJT-UHFFFAOYSA-N
XLogP2.30
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
3-fluoro-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119259430
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250951
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251150) is 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is QPZFTRNNCJDNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-7-8-16(13-17(14)22-18(24)15-5-3-2-4-6-15)19(25)23-11-9-21(28,10-12-23)20(26)27/h2-8,13,28H,9-12H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).