[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone

C17H23N3O — CID 11897025

IUPAC[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C17H23N3O/c21-17(14-3-5-18-6-4-14)20-9-7-19(8-10-20)16-12-13-1-2-15(16)11-13/h3-6,13,15-16H,1-2,7-12H2/t13-,15+,16-/m0/s1
InChIKeyWNJWRSLQXAKMMJ-IMJJTQAJSA-N
MW285.39 g/mol
LogP2.03
Rot. Bonds2

About [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 11897025) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID11897025
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C17H23N3O/c21-17(14-3-5-18-6-4-14)20-9-7-19(8-10-20)16-12-13-1-2-15(16)11-13/h3-6,13,15-16H,1-2,7-12H2/t13-,15+,16-/m0/s1
InChIKeyWNJWRSLQXAKMMJ-IMJJTQAJSA-N
XLogP2.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 11861970
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 11898797
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
[6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133344367
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 86813261
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 71924800
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-pyridin-4-ylethyl)piperazine
CID 129378418
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 98873092
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 124778179
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902
4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 98344931

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 11897025) is [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WNJWRSLQXAKMMJ-IMJJTQAJSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(14-3-5-18-6-4-14)20-9-7-19(8-10-20)16-12-13-1-2-15(16)11-13/h3-6,13,15-16H,1-2,7-12H2/t13-,15+,16-/m0/s1.
What are the key properties of [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 11897025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).