3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide

C17H26FN3O2 — CID 119891321

IUPAC3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
SMILESCC(N)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O2/c1-13(19)12-17(22)20-15-6-8-21(9-7-15)10-11-23-16-4-2-14(18)3-5-16/h2-5,13,15H,6-12,19H2,1H3,(H,20,22)
InChIKeyYESMIGOQRGHKGH-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.52
Rot. Bonds7

About 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide

3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide (PubChem CID 119891321) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
PubChem CID119891321
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
SMILESCC(N)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O2/c1-13(19)12-17(22)20-15-6-8-21(9-7-15)10-11-23-16-4-2-14(18)3-5-16/h2-5,13,15H,6-12,19H2,1H3,(H,20,22)
InChIKeyYESMIGOQRGHKGH-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
CID 119879163
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736827

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide?
The IUPAC name of 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide (CID 119891321) is 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide is CC(N)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide?
The InChIKey is YESMIGOQRGHKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-13(19)12-17(22)20-15-6-8-21(9-7-15)10-11-23-16-4-2-14(18)3-5-16/h2-5,13,15H,6-12,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide?
3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide has a molecular weight of 323.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 119891321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).