1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid

C18H24F2N2O5 — CID 122006625

IUPAC1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)c(OC(F)F)c1
InChIInChI=1S/C18H24F2N2O5/c1-2-8-26-14-6-5-12(15(9-14)27-17(19)20)10-21-18(25)22-7-3-4-13(11-22)16(23)24/h5-6,9,13,17H,2-4,7-8,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyYPCJRSKRUYGQFM-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.08
Rot. Bonds8

About 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid

1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122006625) has the molecular formula C18H24F2N2O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122006625
Molecular FormulaC18H24F2N2O5
Molecular Weight386.40 g/mol
Exact Mass386.17
IUPAC Name1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)c(OC(F)F)c1
InChIInChI=1S/C18H24F2N2O5/c1-2-8-26-14-6-5-12(15(9-14)27-17(19)20)10-21-18(25)22-7-3-4-13(11-22)16(23)24/h5-6,9,13,17H,2-4,7-8,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyYPCJRSKRUYGQFM-UHFFFAOYSA-N
XLogP3.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 124850892
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
1-[(4-methyl-2-methylsulfanylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006136
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
1-[2-(4-chloro-3-fluorophenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122016449
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
1-[(4-chloro-2-ethoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007640

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid (CID 122006625) is 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid is CCCOc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)c(OC(F)F)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YPCJRSKRUYGQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O5/c1-2-8-26-14-6-5-12(15(9-14)27-17(19)20)10-21-18(25)22-7-3-4-13(11-22)16(23)24/h5-6,9,13,17H,2-4,7-8,10-11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid?
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122006625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).