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

C18H23F2N3O2 — CID 119379144

IUPAC(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
SMILESNC1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C18H23F2N3O2/c19-13-3-4-15(16(20)10-13)18(25)22-8-5-12(6-9-22)17(24)23-7-1-2-14(21)11-23/h3-4,10,12,14H,1-2,5-9,11,21H2
InChIKeyLKTUKNQYWRAELJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.77
Rot. Bonds2

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

(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 119379144) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
PubChem CID119379144
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
SMILESNC1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C18H23F2N3O2/c19-13-3-4-15(16(20)10-13)18(25)22-8-5-12(6-9-22)17(24)23-7-1-2-14(21)11-23/h3-4,10,12,14H,1-2,5-9,11,21H2
InChIKeyLKTUKNQYWRAELJ-UHFFFAOYSA-N
XLogP1.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119594478
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone (CID 119379144) is (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone is NC1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is LKTUKNQYWRAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-13-3-4-15(16(20)10-13)18(25)22-8-5-12(6-9-22)17(24)23-7-1-2-14(21)11-23/h3-4,10,12,14H,1-2,5-9,11,21H2.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone?
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 351.40 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 119379144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).