3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one

C15H26N2O — CID 122558011

IUPAC3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1C[C@H]2CC[C@@H](C1)NC2
InChIInChI=1S/C15H26N2O/c18-15(8-6-12-3-1-2-4-12)17-10-13-5-7-14(11-17)16-9-13/h12-14,16H,1-11H2/t13-,14-/m0/s1
InChIKeyHMCFFQXKRFYCJW-KBPBESRZSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds3

About 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one

3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one (PubChem CID 122558011) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
PubChem CID122558011
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1C[C@H]2CC[C@@H](C1)NC2
InChIInChI=1S/C15H26N2O/c18-15(8-6-12-3-1-2-4-12)17-10-13-5-7-14(11-17)16-9-13/h12-14,16H,1-11H2/t13-,14-/m0/s1
InChIKeyHMCFFQXKRFYCJW-KBPBESRZSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
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CID 121084352
1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
CID 103575919
1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride
CID 154910996
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
CID 66372384
(3S,4S)-1-(3-cyclohexylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950638
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one (CID 122558011) is 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one is O=C(CCC1CCCC1)N1C[C@H]2CC[C@@H](C1)NC2.
What is the InChIKey of 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The InChIKey is HMCFFQXKRFYCJW-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(8-6-12-3-1-2-4-12)17-10-13-5-7-14(11-17)16-9-13/h12-14,16H,1-11H2/t13-,14-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one is sourced from PubChem (CID 122558011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).