N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide

C15H25NO3 — CID 7423492

IUPACN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1COC2(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)/t13-/m0/s1
InChIKeyBILRZCLWZFNGLI-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds3

About N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide

N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 7423492) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide
PubChem CID7423492
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1COC2(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)/t13-/m0/s1
InChIKeyBILRZCLWZFNGLI-ZDUSSCGKSA-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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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3,3-dimethylbutanamide
CID 18583777
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclopentanecarboxamide
CID 18583791
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclohexanecarboxamide
CID 18583816
N-((1,4-dioxaspiro[4.4]nonan-2-yl)methyl)cyclopentanecarboxamide
CID 18583921
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)cyclohexanecarboxamide
CID 18583948
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4,4-difluorocyclohexane-1-carboxamide
CID 84598588
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610539
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610540
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide
CID 7423470
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide
CID 7423471
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide
CID 7423487
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopropanecarboxamide
CID 7423488

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide (CID 7423492) is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1COC2(CCCCC2)O1)C1CCCC1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is BILRZCLWZFNGLI-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide?
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]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-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 7423492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).