2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H37N3O2 — CID 45228619

IUPAC2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)N1CCC(N2CCC3(CCCN(CC4CCCCC4)C3=O)C2)CC1
InChIInChI=1S/C22H37N3O2/c1-18(26)23-13-8-20(9-14-23)25-15-11-22(17-25)10-5-12-24(21(22)27)16-19-6-3-2-4-7-19/h19-20H,2-17H2,1H3
InChIKeyDJESRTNFSCDOEA-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.89
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45228619) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45228619
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)N1CCC(N2CCC3(CCCN(CC4CCCCC4)C3=O)C2)CC1
InChIInChI=1S/C22H37N3O2/c1-18(26)23-13-8-20(9-14-23)25-15-11-22(17-25)10-5-12-24(21(22)27)16-19-6-3-2-4-7-19/h19-20H,2-17H2,1H3
InChIKeyDJESRTNFSCDOEA-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45228619) is 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one is CC(=O)N1CCC(N2CCC3(CCCN(CC4CCCCC4)C3=O)C2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DJESRTNFSCDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-18(26)23-13-8-20(9-14-23)25-15-11-22(17-25)10-5-12-24(21(22)27)16-19-6-3-2-4-7-19/h19-20H,2-17H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 375.56 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45228619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).