[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone

C19H34FN5O2 — CID 144642074

IUPAC[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone
SMILESCC1(N2CCN(C(=O)C3CCN(C4C(N)CNCC4F)CC3)CC2)COC1
InChIInChI=1S/C19H34FN5O2/c1-19(12-27-13-19)25-8-6-24(7-9-25)18(26)14-2-4-23(5-3-14)17-15(20)10-22-11-16(17)21/h14-17,22H,2-13,21H2,1H3
InChIKeyAMDOKTLCKGYNHG-UHFFFAOYSA-N
MW383.51 g/mol
LogP-0.73
Rot. Bonds3

About [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone

[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone (PubChem CID 144642074) has the molecular formula C19H34FN5O2 and a molecular weight of 383.51 g/mol. Its IUPAC name is [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone
PubChem CID144642074
Molecular FormulaC19H34FN5O2
Molecular Weight383.51 g/mol
Exact Mass383.27
IUPAC Name[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone
SMILESCC1(N2CCN(C(=O)C3CCN(C4C(N)CNCC4F)CC3)CC2)COC1
InChIInChI=1S/C19H34FN5O2/c1-19(12-27-13-19)25-8-6-24(7-9-25)18(26)14-2-4-23(5-3-14)17-15(20)10-22-11-16(17)21/h14-17,22H,2-13,21H2,1H3
InChIKeyAMDOKTLCKGYNHG-UHFFFAOYSA-N
XLogP-0.73
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone (CID 144642074) is [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone is CC1(N2CCN(C(=O)C3CCN(C4C(N)CNCC4F)CC3)CC2)COC1.
What is the InChIKey of [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone?
The InChIKey is AMDOKTLCKGYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN5O2/c1-19(12-27-13-19)25-8-6-24(7-9-25)18(26)14-2-4-23(5-3-14)17-15(20)10-22-11-16(17)21/h14-17,22H,2-13,21H2,1H3.
What are the key properties of [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone?
[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone has a molecular weight of 383.51 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 144642074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).