(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

C18H24FN3O2 — CID 119372894

IUPAC(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESNC1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c19-15-5-3-13(4-6-15)17(23)22-9-1-2-14(12-22)18(24)21-10-7-16(20)8-11-21/h3-6,14,16H,1-2,7-12,20H2
InChIKeyCUFVGQYWQVEVGR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.63
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 119372894) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID119372894
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESNC1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c19-15-5-3-13(4-6-15)17(23)22-9-1-2-14(12-22)18(24)21-10-7-16(20)8-11-21/h3-6,14,16H,1-2,7-12,20H2
InChIKeyCUFVGQYWQVEVGR-UHFFFAOYSA-N
XLogP1.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119516771
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (CID 119372894) is (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is NC1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is CUFVGQYWQVEVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-15-5-3-13(4-6-15)17(23)22-9-1-2-14(12-22)18(24)21-10-7-16(20)8-11-21/h3-6,14,16H,1-2,7-12,20H2.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 333.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119372894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).