8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C16H28N2O — CID 50953125

IUPAC8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCCC3CCCC3)CC2)CN1
InChIInChI=1S/C16H28N2O/c19-15-12-16(13-17-15)7-10-18(11-8-16)9-3-6-14-4-1-2-5-14/h14H,1-13H2,(H,17,19)
InChIKeyUJBPMEMOKVQZQE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds4

About 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50953125) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50953125
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCCC3CCCC3)CC2)CN1
InChIInChI=1S/C16H28N2O/c19-15-12-16(13-17-15)7-10-18(11-8-16)9-3-6-14-4-1-2-5-14/h14H,1-13H2,(H,17,19)
InChIKeyUJBPMEMOKVQZQE-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 50953125) is 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CCCC3CCCC3)CC2)CN1.
What is the InChIKey of 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UJBPMEMOKVQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-15-12-16(13-17-15)7-10-18(11-8-16)9-3-6-14-4-1-2-5-14/h14H,1-13H2,(H,17,19).
What are the key properties of 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 264.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50953125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).