N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

C26H29FN4O4 — CID 45242304

IUPACN-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCC(COc3ccccc3F)C2)c1
InChIInChI=1S/C26H29FN4O4/c27-23-10-4-5-11-24(23)35-19-20-7-6-13-30(16-20)26(33)18-31-17-21(15-28-31)29-25(32)12-14-34-22-8-2-1-3-9-22/h1-5,8-11,15,17,20H,6-7,12-14,16,18-19H2,(H,29,32)
InChIKeyQFGKCPUFVUXJOB-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.75
Rot. Bonds10

About N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 45242304) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID45242304
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC NameN-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCC(COc3ccccc3F)C2)c1
InChIInChI=1S/C26H29FN4O4/c27-23-10-4-5-11-24(23)35-19-20-7-6-13-30(16-20)26(33)18-31-17-21(15-28-31)29-25(32)12-14-34-22-8-2-1-3-9-22/h1-5,8-11,15,17,20H,6-7,12-14,16,18-19H2,(H,29,32)
InChIKeyQFGKCPUFVUXJOB-UHFFFAOYSA-N
XLogP3.75
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 171654812
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
N-[1-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenoxyacetamide
CID 26347978
3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 166148005
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42501099
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 45242304) is N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCC(COc3ccccc3F)C2)c1.
What is the InChIKey of N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is QFGKCPUFVUXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c27-23-10-4-5-11-24(23)35-19-20-7-6-13-30(16-20)26(33)18-31-17-21(15-28-31)29-25(32)12-14-34-22-8-2-1-3-9-22/h1-5,8-11,15,17,20H,6-7,12-14,16,18-19H2,(H,29,32).
What are the key properties of N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 480.54 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 45242304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).