1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one

C15H26N2O2 — CID 129378387

IUPAC1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C15H26N2O2/c1-19-9-4-15(18)17-7-5-16(6-8-17)14-11-12-2-3-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyUSOKAMRUTFACBT-MELADBBJSA-N
MW266.38 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one

1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 129378387) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID129378387
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C15H26N2O2/c1-19-9-4-15(18)17-7-5-16(6-8-17)14-11-12-2-3-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyUSOKAMRUTFACBT-MELADBBJSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one with MolForge

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Related Compounds

4-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894988
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 71979650
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894956
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108569704
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108536861
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504209
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802
1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one (CID 129378387) is 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is USOKAMRUTFACBT-MELADBBJSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-19-9-4-15(18)17-7-5-16(6-8-17)14-11-12-2-3-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 129378387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).