1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H23FN2O4 — CID 122102573

IUPAC1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCOc1cc(F)ccc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23FN2O4/c1-3-6-24-15-8-13(18)4-5-14(15)19-17(23)20-9-11(2)7-12(10-20)16(21)22/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQJBZCNTXNNLCQS-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.19
Rot. Bonds5

About 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102573) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102573
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCOc1cc(F)ccc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23FN2O4/c1-3-6-24-15-8-13(18)4-5-14(15)19-17(23)20-9-11(2)7-12(10-20)16(21)22/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQJBZCNTXNNLCQS-UHFFFAOYSA-N
XLogP3.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102124
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
1-[(2-butoxy-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102018
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
1-(3,4-dipropoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119202
1-[(2-fluoro-4-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102337
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
(3S,4S)-1-[(4-methyl-2-propoxyphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076847
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
1-[(4-bromo-2-fluoro-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103007

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102573) is 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCCOc1cc(F)ccc1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QJBZCNTXNNLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-3-6-24-15-8-13(18)4-5-14(15)19-17(23)20-9-11(2)7-12(10-20)16(21)22/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).