4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide

C25H33N3O2 — CID 45242799

IUPAC4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NCC1CCC2(CCN(Cc3ccncc3)CC2)O1
InChIInChI=1S/C25H33N3O2/c29-24(8-4-7-21-5-2-1-3-6-21)27-19-23-9-12-25(30-23)13-17-28(18-14-25)20-22-10-15-26-16-11-22/h1-3,5-6,10-11,15-16,23H,4,7-9,12-14,17-20H2,(H,27,29)
InChIKeyNFIPHPUBYLSERI-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.73
Rot. Bonds8

About 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide

4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide (PubChem CID 45242799) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
PubChem CID45242799
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NCC1CCC2(CCN(Cc3ccncc3)CC2)O1
InChIInChI=1S/C25H33N3O2/c29-24(8-4-7-21-5-2-1-3-6-21)27-19-23-9-12-25(30-23)13-17-28(18-14-25)20-22-10-15-26-16-11-22/h1-3,5-6,10-11,15-16,23H,4,7-9,12-14,17-20H2,(H,27,29)
InChIKeyNFIPHPUBYLSERI-UHFFFAOYSA-N
XLogP3.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide with MolForge

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Related Compounds

2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 126462517
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 74501803
3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 125160929
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
CID 118760264
2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126464957
N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide
CID 42170931

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide?
The IUPAC name of 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide (CID 45242799) is 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide?
The canonical SMILES for 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide is O=C(CCCc1ccccc1)NCC1CCC2(CCN(Cc3ccncc3)CC2)O1.
What is the InChIKey of 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide?
The InChIKey is NFIPHPUBYLSERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c29-24(8-4-7-21-5-2-1-3-6-21)27-19-23-9-12-25(30-23)13-17-28(18-14-25)20-22-10-15-26-16-11-22/h1-3,5-6,10-11,15-16,23H,4,7-9,12-14,17-20H2,(H,27,29).
What are the key properties of 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide?
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide is sourced from PubChem (CID 45242799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).