N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide

C21H23FN4O3 — CID 53175013

IUPACN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc1)C1CC1
InChIInChI=1S/C21H23FN4O3/c22-17-3-1-2-4-18(17)25-9-11-26(12-10-25)20(27)14-29-19-8-7-16(13-23-19)24-21(28)15-5-6-15/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,24,28)
InChIKeyUXYGHDGXJGTPFK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.30
Rot. Bonds6

About N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 53175013) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID53175013
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc1)C1CC1
InChIInChI=1S/C21H23FN4O3/c22-17-3-1-2-4-18(17)25-9-11-26(12-10-25)20(27)14-29-19-8-7-16(13-23-19)24-21(28)15-5-6-15/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,24,28)
InChIKeyUXYGHDGXJGTPFK-UHFFFAOYSA-N
XLogP2.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53174982
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
CID 53174914
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125292
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide (CID 53175013) is N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc1)C1CC1.
What is the InChIKey of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UXYGHDGXJGTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-17-3-1-2-4-18(17)25-9-11-26(12-10-25)20(27)14-29-19-8-7-16(13-23-19)24-21(28)15-5-6-15/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,24,28).
What are the key properties of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 53175013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).