4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

C17H24FN3O3 — CID 110822394

IUPAC4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN3O3/c1-12(2)19-17(23)21-8-6-14(7-9-21)20-16(22)11-24-15-5-3-4-13(18)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyDENPGKBPCUPPJQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.90
Rot. Bonds5

About 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822394) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822394
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN3O3/c1-12(2)19-17(23)21-8-6-14(7-9-21)20-16(22)11-24-15-5-3-4-13(18)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyDENPGKBPCUPPJQ-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
2-(3,5-difluorophenoxy)-N-(1-ethylpiperidin-4-yl)acetamide
CID 126804707
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822394) is 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)COc2cccc(F)c2)CC1.
What is the InChIKey of 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is DENPGKBPCUPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-12(2)19-17(23)21-8-6-14(7-9-21)20-16(22)11-24-15-5-3-4-13(18)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).