2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

C19H24FN3O4 — CID 122110171

IUPAC2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1F
InChIInChI=1S/C19H24FN3O4/c20-16-11-15(6-5-13(16)10-17(24)25)21-18(26)14-4-3-9-23(12-14)19(27)22-7-1-2-8-22/h5-6,11,14H,1-4,7-10,12H2,(H,21,26)(H,24,25)
InChIKeyWGCYCNFXWFILTN-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 122110171) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
PubChem CID122110171
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1F
InChIInChI=1S/C19H24FN3O4/c20-16-11-15(6-5-13(16)10-17(24)25)21-18(26)14-4-3-9-23(12-14)19(27)22-7-1-2-8-22/h5-6,11,14H,1-4,7-10,12H2,(H,21,26)(H,24,25)
InChIKeyWGCYCNFXWFILTN-UHFFFAOYSA-N
XLogP2.32
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3S)-N-(4-chloro-3-fluorophenyl)-1-[4-[2-(diaminomethylideneamino)ethyl]piperazine-1-carbonyl]piperidine-3-carboxamide
CID 172908702
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;nickel
CID 153400238
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 146337052
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate;nickel
CID 153400255
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (CID 122110171) is 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is WGCYCNFXWFILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c20-16-11-15(6-5-13(16)10-17(24)25)21-18(26)14-4-3-9-23(12-14)19(27)22-7-1-2-8-22/h5-6,11,14H,1-4,7-10,12H2,(H,21,26)(H,24,25).
What are the key properties of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 377.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).