1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid

C22H26N2O4 — CID 122125504

IUPAC1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CC(C)CC(C(=O)O)C3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-10-18(22(26)27)14-24(12-15)13-16-4-3-5-19(11-16)23-21(25)17-6-8-20(28-2)9-7-17/h3-9,11,15,18H,10,12-14H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyFISUDJZQDKOSAD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.49
Rot. Bonds6

About 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid

1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125504) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122125504
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CC(C)CC(C(=O)O)C3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-10-18(22(26)27)14-24(12-15)13-16-4-3-5-19(11-16)23-21(25)17-6-8-20(28-2)9-7-17/h3-9,11,15,18H,10,12-14H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyFISUDJZQDKOSAD-UHFFFAOYSA-N
XLogP3.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038742
5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122125387
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 120897030
1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719
1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
CID 67081474
1-[(5-methoxy-1-benzofuran-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125323
1-[(3,4-dibromophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125340
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid (CID 122125504) is 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(C(=O)Nc2cccc(CN3CC(C)CC(C(=O)O)C3)c2)cc1.
What is the InChIKey of 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is FISUDJZQDKOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-10-18(22(26)27)14-24(12-15)13-16-4-3-5-19(11-16)23-21(25)17-6-8-20(28-2)9-7-17/h3-9,11,15,18H,10,12-14H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid?
1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).