2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone

C18H31N3O — CID 167550936

IUPAC2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESCC1CC2(C1)CN(C(=O)CN1CCN(CC3CCC3)CC1)C2
InChIInChI=1S/C18H31N3O/c1-15-9-18(10-15)13-21(14-18)17(22)12-20-7-5-19(6-8-20)11-16-3-2-4-16/h15-16H,2-14H2,1H3
InChIKeyCBBWCGHNNBZTJR-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone

2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 167550936) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone
PubChem CID167550936
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESCC1CC2(C1)CN(C(=O)CN1CCN(CC3CCC3)CC1)C2
InChIInChI=1S/C18H31N3O/c1-15-9-18(10-15)13-21(14-18)17(22)12-20-7-5-19(6-8-20)11-16-3-2-4-16/h15-16H,2-14H2,1H3
InChIKeyCBBWCGHNNBZTJR-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone with MolForge

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Related Compounds

2-[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 65458095
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 177010787
2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 127000154
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62824701
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503561
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone (CID 167550936) is 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone is CC1CC2(C1)CN(C(=O)CN1CCN(CC3CCC3)CC1)C2.
What is the InChIKey of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is CBBWCGHNNBZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-15-9-18(10-15)13-21(14-18)17(22)12-20-7-5-19(6-8-20)11-16-3-2-4-16/h15-16H,2-14H2,1H3.
What are the key properties of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone?
2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 305.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 167550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).