tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

C20H38N4O2 — CID 82565225

IUPACtert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCN(C)CC1CCNCC1N1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C20H38N4O2/c1-19(2,3)26-18(25)24-11-8-20(15-24)7-10-23(14-20)17-12-21-9-6-16(17)13-22(4)5/h16-17,21H,6-15H2,1-5H3
InChIKeyWNHZBIHJNAMEHG-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 82565225) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID82565225
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Nametert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCN(C)CC1CCNCC1N1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C20H38N4O2/c1-19(2,3)26-18(25)24-11-8-20(15-24)7-10-23(14-20)17-12-21-9-6-16(17)13-22(4)5/h16-17,21H,6-15H2,1-5H3
InChIKeyWNHZBIHJNAMEHG-UHFFFAOYSA-N
XLogP1.86
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463
tert-butyl 4-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
CID 82565214
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 82565225) is tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is CN(C)CC1CCNCC1N1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is WNHZBIHJNAMEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-19(2,3)26-18(25)24-11-8-20(15-24)7-10-23(14-20)17-12-21-9-6-16(17)13-22(4)5/h16-17,21H,6-15H2,1-5H3.
What are the key properties of tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 366.55 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[4-[(dimethylamino)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 82565225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).