2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide

C15H21F2N3O — CID 103442124

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(F)cc(F)c2)C(CN)C1
InChIInChI=1S/C15H21F2N3O/c1-10-2-3-20(14(4-10)8-18)9-15(21)19-13-6-11(16)5-12(17)7-13/h5-7,10,14H,2-4,8-9,18H2,1H3,(H,19,21)
InChIKeyRTGUSSOCCPBCTR-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.96
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 103442124) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID103442124
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(F)cc(F)c2)C(CN)C1
InChIInChI=1S/C15H21F2N3O/c1-10-2-3-20(14(4-10)8-18)9-15(21)19-13-6-11(16)5-12(17)7-13/h5-7,10,14H,2-4,8-9,18H2,1H3,(H,19,21)
InChIKeyRTGUSSOCCPBCTR-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119926972
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63841061
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103441761
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
CID 103441963
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 103441898
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 103442124) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide is CC1CCN(CC(=O)Nc2cc(F)cc(F)c2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is RTGUSSOCCPBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10-2-3-20(14(4-10)8-18)9-15(21)19-13-6-11(16)5-12(17)7-13/h5-7,10,14H,2-4,8-9,18H2,1H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 103442124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).