[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone

C20H30N2O2 — CID 99726376

IUPAC[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
SMILESO=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C20H30N2O2/c23-19(17-11-13-1-3-15(17)9-13)21-5-7-22(8-6-21)20(24)18-12-14-2-4-16(18)10-14/h13-18H,1-12H2/t13-,14+,15-,16-,17-,18-/m1/s1
InChIKeyIPQWWDSWZIVFBX-SISKNIMQSA-N
MW330.47 g/mol
LogP2.53
Rot. Bonds2

About [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone

[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone (PubChem CID 99726376) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone.

Molecular Properties

Compound Name[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
PubChem CID99726376
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
SMILESO=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C20H30N2O2/c23-19(17-11-13-1-3-15(17)9-13)21-5-7-22(8-6-21)20(24)18-12-14-2-4-16(18)10-14/h13-18H,1-12H2/t13-,14+,15-,16-,17-,18-/m1/s1
InChIKeyIPQWWDSWZIVFBX-SISKNIMQSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone?
The IUPAC name of [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone (CID 99726376) is [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone.
What is the SMILES notation for [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone?
The canonical SMILES for [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone is O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone?
The InChIKey is IPQWWDSWZIVFBX-SISKNIMQSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19(17-11-13-1-3-15(17)9-13)21-5-7-22(8-6-21)20(24)18-12-14-2-4-16(18)10-14/h13-18H,1-12H2/t13-,14+,15-,16-,17-,18-/m1/s1.
What are the key properties of [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone?
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone has a molecular weight of 330.47 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone is sourced from PubChem (CID 99726376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).