[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone

C20H27F2N3O2 — CID 119594478

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C20H27F2N3O2/c1-13(23)15-3-2-8-25(12-15)19(26)14-6-9-24(10-7-14)20(27)17-5-4-16(21)11-18(17)22/h4-5,11,13-15H,2-3,6-10,12,23H2,1H3
InChIKeyNZFWORGIOZQARB-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.40
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 119594478) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
PubChem CID119594478
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C20H27F2N3O2/c1-13(23)15-3-2-8-25(12-15)19(26)14-6-9-24(10-7-14)20(27)17-5-4-16(21)11-18(17)22/h4-5,11,13-15H,2-3,6-10,12,23H2,1H3
InChIKeyNZFWORGIOZQARB-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
[3-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-4-(4-methylphenyl)phenyl]methanone;hydrochloride
CID 119593064
[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119593361
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 119593124
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124691260
(2R,3R)-1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115025
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone (CID 119594478) is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone is CC(N)C1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is NZFWORGIOZQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-13(23)15-3-2-8-25(12-15)19(26)14-6-9-24(10-7-14)20(27)17-5-4-16(21)11-18(17)22/h4-5,11,13-15H,2-3,6-10,12,23H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 379.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 119594478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).