3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid

C17H21FN4O3 — CID 71153777

IUPAC3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCC(n3c(=O)[nH]c4cccc(F)c43)CC2)C1
InChIInChI=1S/C17H21FN4O3/c18-13-2-1-3-14-15(13)22(16(23)19-14)11-4-7-20(8-5-11)12-6-9-21(10-12)17(24)25/h1-3,11-12H,4-10H2,(H,19,23)(H,24,25)
InChIKeyPCICNSVBIFENIW-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.86
Rot. Bonds2

About 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid

3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid (PubChem CID 71153777) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
PubChem CID71153777
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCC(n3c(=O)[nH]c4cccc(F)c43)CC2)C1
InChIInChI=1S/C17H21FN4O3/c18-13-2-1-3-14-15(13)22(16(23)19-14)11-4-7-20(8-5-11)12-6-9-21(10-12)17(24)25/h1-3,11-12H,4-10H2,(H,19,23)(H,24,25)
InChIKeyPCICNSVBIFENIW-UHFFFAOYSA-N
XLogP1.86
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
CID 143592072
3-(1,1-dioxothian-4-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931525
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
4-fluoro-3-(thian-2-yl)-1H-benzimidazol-2-one
CID 117208788
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid (CID 71153777) is 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(N2CCC(n3c(=O)[nH]c4cccc(F)c43)CC2)C1.
What is the InChIKey of 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is PCICNSVBIFENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c18-13-2-1-3-14-15(13)22(16(23)19-14)11-4-7-20(8-5-11)12-6-9-21(10-12)17(24)25/h1-3,11-12H,4-10H2,(H,19,23)(H,24,25).
What are the key properties of 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid?
3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 71153777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).