N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide

C15H21F2N3O — CID 107933077

IUPACN-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyLIEUJLYIEXUKRD-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.78
Rot. Bonds4

About N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 107933077) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
PubChem CID107933077
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyLIEUJLYIEXUKRD-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107532516
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 107932981
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
2,3-difluoro-4-[4-(methylaminomethyl)piperidin-1-yl]benzoic acid
CID 79840498
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
4-[4-(ethylaminomethyl)piperidin-1-yl]-2,3-difluorobenzoic acid
CID 80546612
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide (CID 107933077) is N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(CN)c(F)c2F)CC1.
What is the InChIKey of N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is LIEUJLYIEXUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21).
What are the key properties of N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 107933077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).