2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide

C19H32N4O2 — CID 91533216

IUPAC2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC2C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14(17(20)24)21-7-5-19(6-8-21)13-16(19)18(25)23-11-9-22(10-12-23)15-3-2-4-15/h14-16H,2-13H2,1H3,(H2,20,24)
InChIKeySHSSLJAEGASOQY-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide

2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide (PubChem CID 91533216) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide.

Molecular Properties

Compound Name2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide
PubChem CID91533216
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC2C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14(17(20)24)21-7-5-19(6-8-21)13-16(19)18(25)23-11-9-22(10-12-23)15-3-2-4-15/h14-16H,2-13H2,1H3,(H2,20,24)
InChIKeySHSSLJAEGASOQY-UHFFFAOYSA-N
XLogP0.66
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
1-[5-[(2R)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352140
1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352136
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 131902232
(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
2-[4-(1-benzyltetrazol-5-yl)-4-(4-cyclobutyl-1,4-diazepan-1-yl)piperidin-1-yl]propanamide
CID 91399794
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
2-(4-acetylpiperazin-1-yl)propanamide
CID 60644667
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide?
The IUPAC name of 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide (CID 91533216) is 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide.
What is the SMILES notation for 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide?
The canonical SMILES for 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide is CC(C(N)=O)N1CCC2(CC1)CC2C(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide?
The InChIKey is SHSSLJAEGASOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(17(20)24)21-7-5-19(6-8-21)13-16(19)18(25)23-11-9-22(10-12-23)15-3-2-4-15/h14-16H,2-13H2,1H3,(H2,20,24).
What are the key properties of 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide?
2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide is sourced from PubChem (CID 91533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).