2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide

C23H44N4O2 — CID 164715698

IUPAC2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CC2(CCN(CCCN3CCN(C(C)C)CC3)CC2)CO1
InChIInChI=1S/C23H44N4O2/c1-19(2)22(28)24-17-21-16-23(18-29-21)6-10-25(11-7-23)8-5-9-26-12-14-27(15-13-26)20(3)4/h19-21H,5-18H2,1-4H3,(H,24,28)
InChIKeyXBDGYNWZKUEOLF-UHFFFAOYSA-N
MW408.63 g/mol
LogP2.05
Rot. Bonds8

About 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide

2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide (PubChem CID 164715698) has the molecular formula C23H44N4O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
PubChem CID164715698
Molecular FormulaC23H44N4O2
Molecular Weight408.63 g/mol
Exact Mass408.35
IUPAC Name2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CC2(CCN(CCCN3CCN(C(C)C)CC3)CC2)CO1
InChIInChI=1S/C23H44N4O2/c1-19(2)22(28)24-17-21-16-23(18-29-21)6-10-25(11-7-23)8-5-9-26-12-14-27(15-13-26)20(3)4/h19-21H,5-18H2,1-4H3,(H,24,28)
InChIKeyXBDGYNWZKUEOLF-UHFFFAOYSA-N
XLogP2.05
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]but-1-en-2-amine
CID 155599509
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide;N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide;2-methyl-N-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]propanamide;3-methyl-1-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]butan-2-one;2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azaspiro[4.4]nonan-8-yl]propanamide;2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide;3-methyl-1-[2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]butan-2-one;2-methyl-N-[[2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]propanamide
CID 164967165
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane
CID 58547564
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-butyl-2-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 154670296
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
N-[[7-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylbutanamide
CID 166466698
molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
CID 154671501
N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
CID 154670851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide (CID 164715698) is 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide is CC(C)C(=O)NCC1CC2(CCN(CCCN3CCN(C(C)C)CC3)CC2)CO1.
What is the InChIKey of 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide?
The InChIKey is XBDGYNWZKUEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O2/c1-19(2)22(28)24-17-21-16-23(18-29-21)6-10-25(11-7-23)8-5-9-26-12-14-27(15-13-26)20(3)4/h19-21H,5-18H2,1-4H3,(H,24,28).
What are the key properties of 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide?
2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide has a molecular weight of 408.63 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide is sourced from PubChem (CID 164715698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).