N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide

C15H21F2N3O — CID 82797720

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCN(CCN)CC2)c1F
InChIInChI=1S/C15H21F2N3O/c1-10-2-3-12(16)13(14(10)17)15(21)19-11-4-7-20(8-5-11)9-6-18/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyWGFBMTFUGJECPC-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.43
Rot. Bonds4

About N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide

N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82797720) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
PubChem CID82797720
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCN(CCN)CC2)c1F
InChIInChI=1S/C15H21F2N3O/c1-10-2-3-12(16)13(14(10)17)15(21)19-11-4-7-20(8-5-11)9-6-18/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyWGFBMTFUGJECPC-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 107702105
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732271
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 119045458
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide (CID 82797720) is N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC2CCN(CCN)CC2)c1F.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is WGFBMTFUGJECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10-2-3-12(16)13(14(10)17)15(21)19-11-4-7-20(8-5-11)9-6-18/h2-3,11H,4-9,18H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).