N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide

C15H22FN3O2 — CID 61406991

IUPACN-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESNc1cc(NC(=O)CCN2CCCCC2CO)ccc1F
InChIInChI=1S/C15H22FN3O2/c16-13-5-4-11(9-14(13)17)18-15(21)6-8-19-7-2-1-3-12(19)10-20/h4-5,9,12,20H,1-3,6-8,10,17H2,(H,18,21)
InChIKeyLYPLWPLSSUTRAC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide

N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 61406991) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID61406991
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESNc1cc(NC(=O)CCN2CCCCC2CO)ccc1F
InChIInChI=1S/C15H22FN3O2/c16-13-5-4-11(9-14(13)17)18-15(21)6-8-19-7-2-1-3-12(19)10-20/h4-5,9,12,20H,1-3,6-8,10,17H2,(H,18,21)
InChIKeyLYPLWPLSSUTRAC-UHFFFAOYSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 75369485
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide (CID 61406991) is N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide is Nc1cc(NC(=O)CCN2CCCCC2CO)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is LYPLWPLSSUTRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-13-5-4-11(9-14(13)17)18-15(21)6-8-19-7-2-1-3-12(19)10-20/h4-5,9,12,20H,1-3,6-8,10,17H2,(H,18,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 61406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).