2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid

C22H24N2O5 — CID 113083190

IUPAC2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-29-17-8-6-15(7-9-17)14-20(25)24-12-10-16(11-13-24)23-21(26)18-4-2-3-5-19(18)22(27)28/h2-9,16H,10-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyGWDICDOGNAYQKC-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.36
Rot. Bonds6

About 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid

2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 113083190) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID113083190
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-29-17-8-6-15(7-9-17)14-20(25)24-12-10-16(11-13-24)23-21(26)18-4-2-3-5-19(18)22(27)28/h2-9,16H,10-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyGWDICDOGNAYQKC-UHFFFAOYSA-N
XLogP2.36
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid (CID 113083190) is 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid is COc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3C(=O)O)CC2)cc1.
What is the InChIKey of 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is GWDICDOGNAYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-29-17-8-6-15(7-9-17)14-20(25)24-12-10-16(11-13-24)23-21(26)18-4-2-3-5-19(18)22(27)28/h2-9,16H,10-14H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 396.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 113083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).