8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C17H29N3O2 — CID 139005274

IUPAC8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCN1CCCCC1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H29N3O2/c1-2-8-19-9-4-3-5-14(19)16(22)20-10-6-17(7-11-20)12-15(21)18-13-17/h14H,2-13H2,1H3,(H,18,21)
InChIKeyNWLOOAITVOSABD-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds3

About 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 139005274) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID139005274
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCN1CCCCC1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H29N3O2/c1-2-8-19-9-4-3-5-14(19)16(22)20-10-6-17(7-11-20)12-15(21)18-13-17/h14H,2-13H2,1H3,(H,18,21)
InChIKeyNWLOOAITVOSABD-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 139005274) is 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CCCN1CCCCC1C(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NWLOOAITVOSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-8-19-9-4-3-5-14(19)16(22)20-10-6-17(7-11-20)12-15(21)18-13-17/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 307.44 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 139005274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).