4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid

C22H26N2O4 — CID 141216978

IUPAC4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-23(2)21(25)19-5-3-17(4-6-19)18-7-9-20(10-8-18)28-15-16-11-13-24(14-12-16)22(26)27/h3-10,16H,11-15H2,1-2H3,(H,26,27)
InChIKeyGOMWHGKACAFUDA-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.82
Rot. Bonds5

About 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid

4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 141216978) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
PubChem CID141216978
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-23(2)21(25)19-5-3-17(4-6-19)18-7-9-20(10-8-18)28-15-16-11-13-24(14-12-16)22(26)27/h3-10,16H,11-15H2,1-2H3,(H,26,27)
InChIKeyGOMWHGKACAFUDA-UHFFFAOYSA-N
XLogP3.82
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
CID 118147802
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
4-[[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 87480296
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
CID 139832833
4-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050918
4-[[(4-cyanobenzoyl)-methylamino]methyl]piperidine-1-carboxylic acid
CID 141379176
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 146418217
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72699414
propan-2-yl 4-[[4-[4-(1,2,4-triazol-4-ylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 59177766

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid (CID 141216978) is 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid is CN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is GOMWHGKACAFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23(2)21(25)19-5-3-17(4-6-19)18-7-9-20(10-8-18)28-15-16-11-13-24(14-12-16)22(26)27/h3-10,16H,11-15H2,1-2H3,(H,26,27).
What are the key properties of 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid?
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).