N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide

C15H25NO3 — CID 18583791

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-6-2-3-7-12)16-10-13-11-18-15(19-13)8-4-1-5-9-15/h12-13H,1-11H2,(H,16,17)
InChIKeyBILRZCLWZFNGLI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide (PubChem CID 18583791) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide
PubChem CID18583791
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-6-2-3-7-12)16-10-13-11-18-15(19-13)8-4-1-5-9-15/h12-13H,1-11H2,(H,16,17)
InChIKeyBILRZCLWZFNGLI-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide (CID 18583791) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide is O=C(NCC1COC2(CCCCC2)O1)C1CCCC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide?
The InChIKey is BILRZCLWZFNGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(12-6-2-3-7-12)16-10-13-11-18-15(19-13)8-4-1-5-9-15/h12-13H,1-11H2,(H,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 18583791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).