4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid

C21H24N2O4 — CID 122021103

IUPAC4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESCc1ccc(OC2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-15-2-8-18(9-3-15)27-19-10-12-23(13-11-19)21(26)22-14-16-4-6-17(7-5-16)20(24)25/h2-9,19H,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyGUPPHHXFIHERDS-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.45
Rot. Bonds5

About 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid

4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122021103) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122021103
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESCc1ccc(OC2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-15-2-8-18(9-3-15)27-19-10-12-23(13-11-19)21(26)22-14-16-4-6-17(7-5-16)20(24)25/h2-9,19H,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyGUPPHHXFIHERDS-UHFFFAOYSA-N
XLogP3.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443943
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 162628442
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
4-[[[4-(2-methylpropanoyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019575

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid (CID 122021103) is 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid is Cc1ccc(OC2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)cc1.
What is the InChIKey of 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is GUPPHHXFIHERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-2-8-18(9-3-15)27-19-10-12-23(13-11-19)21(26)22-14-16-4-6-17(7-5-16)20(24)25/h2-9,19H,10-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122021103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).