1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

C17H21FN6O2 — CID 56746746

IUPAC1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN6O2/c18-12-2-1-3-13(10-12)21-17(26)22-15-4-7-20-24(15)14-5-8-23(9-6-14)16(25)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H2,21,22,26)
InChIKeyJZHKDJXEQVYRNQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (PubChem CID 56746746) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
PubChem CID56746746
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN6O2/c18-12-2-1-3-13(10-12)21-17(26)22-15-4-7-20-24(15)14-5-8-23(9-6-14)16(25)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H2,21,22,26)
InChIKeyJZHKDJXEQVYRNQ-UHFFFAOYSA-N
XLogP1.79
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (CID 56746746) is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is NCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The InChIKey is JZHKDJXEQVYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c18-12-2-1-3-13(10-12)21-17(26)22-15-4-7-20-24(15)14-5-8-23(9-6-14)16(25)11-19/h1-4,7,10,14H,5-6,8-9,11,19H2,(H2,21,22,26).
What are the key properties of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea has a molecular weight of 360.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56746746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).