N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide

C11H17FN6O2 — CID 138023935

IUPACN-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC(F)C1
InChIInChI=1S/C11H17FN6O2/c1-8(11(20)17-4-2-3-9(12)5-17)14-10(19)6-18-7-13-15-16-18/h7-9H,2-6H2,1H3,(H,14,19)/t8-,9?/m1/s1
InChIKeyCSLHXDUGNYJCQZ-VEDVMXKPSA-N
MW284.30 g/mol
LogP-0.86
Rot. Bonds4

About N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide

N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 138023935) has the molecular formula C11H17FN6O2 and a molecular weight of 284.30 g/mol. Its IUPAC name is N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID138023935
Molecular FormulaC11H17FN6O2
Molecular Weight284.30 g/mol
Exact Mass284.14
IUPAC NameN-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC(F)C1
InChIInChI=1S/C11H17FN6O2/c1-8(11(20)17-4-2-3-9(12)5-17)14-10(19)6-18-7-13-15-16-18/h7-9H,2-6H2,1H3,(H,14,19)/t8-,9?/m1/s1
InChIKeyCSLHXDUGNYJCQZ-VEDVMXKPSA-N
XLogP-0.86
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide (CID 138023935) is N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide is C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC(F)C1.
What is the InChIKey of N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is CSLHXDUGNYJCQZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17FN6O2/c1-8(11(20)17-4-2-3-9(12)5-17)14-10(19)6-18-7-13-15-16-18/h7-9H,2-6H2,1H3,(H,14,19)/t8-,9?/m1/s1.
What are the key properties of N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 284.30 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 138023935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).