2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

C22H24N2O4 — CID 119218307

IUPAC2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3CC(=O)O)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-8-10-16(11-9-15)22(28)24-12-4-6-18(14-24)21(27)23-19-7-3-2-5-17(19)13-20(25)26/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyLFIYCUCXNFUQQG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 119218307) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
PubChem CID119218307
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3CC(=O)O)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-8-10-16(11-9-15)22(28)24-12-4-6-18(14-24)21(27)23-19-7-3-2-5-17(19)13-20(25)26/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyLFIYCUCXNFUQQG-UHFFFAOYSA-N
XLogP3.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506
(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119618843
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (CID 119218307) is 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3CC(=O)O)C2)cc1.
What is the InChIKey of 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is LFIYCUCXNFUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-8-10-16(11-9-15)22(28)24-12-4-6-18(14-24)21(27)23-19-7-3-2-5-17(19)13-20(25)26/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).