2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide

C15H23FN4O — CID 43252639

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
SMILESNCCN1CCCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c16-13-3-1-4-14(11-13)18-15(21)12-20-7-2-6-19(8-5-17)9-10-20/h1,3-4,11H,2,5-10,12,17H2,(H,18,21)
InChIKeyFQQYBKFINZSGAZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.73
Rot. Bonds5

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 43252639) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID43252639
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
SMILESNCCN1CCCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c16-13-3-1-4-14(11-13)18-15(21)12-20-7-2-6-19(8-5-17)9-10-20/h1,3-4,11H,2,5-10,12,17H2,(H,18,21)
InChIKeyFQQYBKFINZSGAZ-UHFFFAOYSA-N
XLogP0.73
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-(3-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
CID 8711213
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8711083
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide (CID 43252639) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide is NCCN1CCCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FQQYBKFINZSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c16-13-3-1-4-14(11-13)18-15(21)12-20-7-2-6-19(8-5-17)9-10-20/h1,3-4,11H,2,5-10,12,17H2,(H,18,21).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 43252639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).