4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid

C15H20N2O4 — CID 104698715

IUPAC4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid
SMILESCN(C(=O)COC1CCNCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-17(12-4-2-11(3-5-12)15(19)20)14(18)10-21-13-6-8-16-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeySEZSXZGMVBQEHD-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.12
Rot. Bonds5

About 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid

4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid (PubChem CID 104698715) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid
PubChem CID104698715
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid
SMILESCN(C(=O)COC1CCNCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-17(12-4-2-11(3-5-12)15(19)20)14(18)10-21-13-6-8-16-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeySEZSXZGMVBQEHD-UHFFFAOYSA-N
XLogP1.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylphenyl)-2-piperidin-4-yloxyacetamide
CID 63877627
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
N-methyl-3-piperidin-4-yloxy-N-pyridin-4-ylpropanamide
CID 106935070
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
methyl 2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetate
CID 55250902
4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
CID 18618377
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
N-[(4-chlorophenyl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877600
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072
N-methyl-N-[(2-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875501
N-methyl-2-piperidin-4-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 63876359

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid (CID 104698715) is 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid is CN(C(=O)COC1CCNCC1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The InChIKey is SEZSXZGMVBQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(12-4-2-11(3-5-12)15(19)20)14(18)10-21-13-6-8-16-9-7-13/h2-5,13,16H,6-10H2,1H3,(H,19,20).
What are the key properties of 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 104698715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).