1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C25H45N3O — CID 45180656

IUPAC1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C25H45N3O/c1-21(2)27-14-9-22(10-15-27)17-24(29)28-16-12-25(20-28)11-6-13-26(19-25)18-23-7-4-3-5-8-23/h21-23H,3-20H2,1-2H3
InChIKeyOVILWPNISHCPFT-UHFFFAOYSA-N
MW403.66 g/mol
LogP4.39
Rot. Bonds5

About 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 45180656) has the molecular formula C25H45N3O and a molecular weight of 403.66 g/mol. Its IUPAC name is 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID45180656
Molecular FormulaC25H45N3O
Molecular Weight403.66 g/mol
Exact Mass403.36
IUPAC Name1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C25H45N3O/c1-21(2)27-14-9-22(10-15-27)17-24(29)28-16-12-25(20-28)11-6-13-26(19-25)18-23-7-4-3-5-8-23/h21-23H,3-20H2,1-2H3
InChIKeyOVILWPNISHCPFT-UHFFFAOYSA-N
XLogP4.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.66
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 45180656) is 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(CC(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1.
What is the InChIKey of 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is OVILWPNISHCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O/c1-21(2)27-14-9-22(10-15-27)17-24(29)28-16-12-25(20-28)11-6-13-26(19-25)18-23-7-4-3-5-8-23/h21-23H,3-20H2,1-2H3.
What are the key properties of 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 403.66 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 45180656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).