N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C17H20FN5O2 — CID 56755261

IUPACN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-2-12(10-13)17(25)21-15-4-7-20-23(15)14-5-8-22(9-6-14)16(24)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H,21,25)
InChIKeyYJQZPDGOFWZGTL-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.40
Rot. Bonds4

About N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 56755261) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID56755261
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-2-12(10-13)17(25)21-15-4-7-20-23(15)14-5-8-22(9-6-14)16(24)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H,21,25)
InChIKeyYJQZPDGOFWZGTL-UHFFFAOYSA-N
XLogP1.40
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 56755261) is N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is NCC(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is YJQZPDGOFWZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-3-1-2-12(10-13)17(25)21-15-4-7-20-23(15)14-5-8-22(9-6-14)16(24)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H,21,25).
What are the key properties of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 345.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 56755261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).