N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide

C13H23N3O — CID 73353481

IUPACN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H23N3O/c17-13(9-16-5-3-14-4-6-16)15-12-8-10-1-2-11(12)7-10/h10-12,14H,1-9H2,(H,15,17)/t10-,11+,12+/m1/s1
InChIKeyJZRADVZVNNMKKZ-WOPDTQHZSA-N
MW237.35 g/mol
LogP0.20
Rot. Bonds3

About N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide (PubChem CID 73353481) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
PubChem CID73353481
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H23N3O/c17-13(9-16-5-3-14-4-6-16)15-12-8-10-1-2-11(12)7-10/h10-12,14H,1-9H2,(H,15,17)/t10-,11+,12+/m1/s1
InChIKeyJZRADVZVNNMKKZ-WOPDTQHZSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide (CID 73353481) is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)N[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide?
The InChIKey is JZRADVZVNNMKKZ-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(9-16-5-3-14-4-6-16)15-12-8-10-1-2-11(12)7-10/h10-12,14H,1-9H2,(H,15,17)/t10-,11+,12+/m1/s1.
What are the key properties of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide?
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide has a molecular weight of 237.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 73353481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).