1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid

C16H20F2N2O5 — CID 122006056

IUPAC1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(OC(F)F)c(CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H20F2N2O5/c1-24-12-2-3-13(25-15(17)18)11(8-12)9-19-16(23)20-6-4-10(5-7-20)14(21)22/h2-3,8,10,15H,4-7,9H2,1H3,(H,19,23)(H,21,22)
InChIKeyVPGKUOZKRSEONM-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.30
Rot. Bonds6

About 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122006056) has the molecular formula C16H20F2N2O5 and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122006056
Molecular FormulaC16H20F2N2O5
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC Name1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(OC(F)F)c(CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H20F2N2O5/c1-24-12-2-3-13(25-15(17)18)11(8-12)9-19-16(23)20-6-4-10(5-7-20)14(21)22/h2-3,8,10,15H,4-7,9H2,1H3,(H,19,23)(H,21,22)
InChIKeyVPGKUOZKRSEONM-UHFFFAOYSA-N
XLogP2.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509745
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122014882
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
CID 97252909
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoylamino]butanoic acid
CID 122006058
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816303
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122006056) is 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid is COc1ccc(OC(F)F)c(CNC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VPGKUOZKRSEONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O5/c1-24-12-2-3-13(25-15(17)18)11(8-12)9-19-16(23)20-6-4-10(5-7-20)14(21)22/h2-3,8,10,15H,4-7,9H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 358.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122006056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).