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

C22H24N2O4 — CID 119351787

IUPAC2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(CC(=O)O)c3)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)22(28)24-11-3-5-18(14-24)21(27)23-19-6-2-4-16(12-19)13-20(25)26/h2,4,6-10,12,18H,3,5,11,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyIMCCRBAPCFKJBI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.11
Rot. Bonds5

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

2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 119351787) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
PubChem CID119351787
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(CC(=O)O)c3)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)22(28)24-11-3-5-18(14-24)21(27)23-19-6-2-4-16(12-19)13-20(25)26/h2,4,6-10,12,18H,3,5,11,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyIMCCRBAPCFKJBI-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-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 55597795
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (CID 119351787) is 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(CC(=O)O)c3)C2)cc1.
What is the InChIKey of 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is IMCCRBAPCFKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)22(28)24-11-3-5-18(14-24)21(27)23-19-6-2-4-16(12-19)13-20(25)26/h2,4,6-10,12,18H,3,5,11,13-14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
2-[3-[[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-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).