[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone

C16H30FN5O — CID 144642129

IUPAC[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C16H30FN5O/c1-20-5-3-2-4-14(20)16(23)22-8-6-21(7-9-22)15-12(17)10-19-11-13(15)18/h12-15,19H,2-11,18H2,1H3
InChIKeyXGFDNVKEGOBPFO-UHFFFAOYSA-N
MW327.45 g/mol
LogP-0.75
Rot. Bonds2

About [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone

[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone (PubChem CID 144642129) has the molecular formula C16H30FN5O and a molecular weight of 327.45 g/mol. Its IUPAC name is [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone
PubChem CID144642129
Molecular FormulaC16H30FN5O
Molecular Weight327.45 g/mol
Exact Mass327.24
IUPAC Name[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C16H30FN5O/c1-20-5-3-2-4-14(20)16(23)22-8-6-21(7-9-22)15-12(17)10-19-11-13(15)18/h12-15,19H,2-11,18H2,1H3
InChIKeyXGFDNVKEGOBPFO-UHFFFAOYSA-N
XLogP-0.75
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone?
The IUPAC name of [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone (CID 144642129) is [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone?
The canonical SMILES for [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone is CN1CCCCC1C(=O)N1CCN(C2C(N)CNCC2F)CC1.
What is the InChIKey of [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone?
The InChIKey is XGFDNVKEGOBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN5O/c1-20-5-3-2-4-14(20)16(23)22-8-6-21(7-9-22)15-12(17)10-19-11-13(15)18/h12-15,19H,2-11,18H2,1H3.
What are the key properties of [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone?
[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone has a molecular weight of 327.45 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 144642129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).