(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N2O2 — CID 42384848

IUPAC(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H28N2O2/c21-16(15-4-1-2-5-15)20-11-9-18(13-20)8-3-10-19(17(18)22)12-14-6-7-14/h14-15H,1-13H2/t18-/m0/s1
InChIKeyRDSYDORHGAULJR-SFHVURJKSA-N
MW304.43 g/mol
LogP2.43
Rot. Bonds3

About (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42384848) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42384848
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H28N2O2/c21-16(15-4-1-2-5-15)20-11-9-18(13-20)8-3-10-19(17(18)22)12-14-6-7-14/h14-15H,1-13H2/t18-/m0/s1
InChIKeyRDSYDORHGAULJR-SFHVURJKSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42384848) is (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RDSYDORHGAULJR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-16(15-4-1-2-5-15)20-11-9-18(13-20)8-3-10-19(17(18)22)12-14-6-7-14/h14-15H,1-13H2/t18-/m0/s1.
What are the key properties of (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42384848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).