(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C14H24N2O — CID 155896424

IUPAC(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCNC2)CN1CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-13-8-14(6-7-15-10-14)11-16(13)9-12-4-2-1-3-5-12/h12,15H,1-11H2/t14-/m0/s1
InChIKeyAPVXGZYACRDNOW-AWEZNQCLSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds2

About (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 155896424) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID155896424
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCNC2)CN1CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-13-8-14(6-7-15-10-14)11-16(13)9-12-4-2-1-3-5-12/h12,15H,1-11H2/t14-/m0/s1
InChIKeyAPVXGZYACRDNOW-AWEZNQCLSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 129372530
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97399153
2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662352
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449175
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662299
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229716
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
2-propan-2-yl-2,9-diazaspiro[4.5]decan-3-one
CID 84667102
2-propan-2-yl-2,10-diazaspiro[4.6]undecan-3-one
CID 105464444
1-(cyclobutylmethyl)piperazin-2-one;hydrochloride
CID 67085388
ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
CID 145006494

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 155896424) is (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1C[C@]2(CCNC2)CN1CC1CCCCC1.
What is the InChIKey of (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is APVXGZYACRDNOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O/c17-13-8-14(6-7-15-10-14)11-16(13)9-12-4-2-1-3-5-12/h12,15H,1-11H2/t14-/m0/s1.
What are the key properties of (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 236.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 155896424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).