3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane

C21H41N3O — CID 155702508

IUPAC3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCC(CN2CCOC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C21H41N3O/c1-18(2)23-10-5-20(6-11-23)17-22-12-7-21(25-16-15-22)8-13-24(14-9-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyTULOWEUSFNXLMP-UHFFFAOYSA-N
MW351.58 g/mol
LogP3.07
Rot. Bonds4

About 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane

3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane (PubChem CID 155702508) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
PubChem CID155702508
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC Name3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCC(CN2CCOC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C21H41N3O/c1-18(2)23-10-5-20(6-11-23)17-22-12-7-21(25-16-15-22)8-13-24(14-9-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyTULOWEUSFNXLMP-UHFFFAOYSA-N
XLogP3.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702623
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
CID 170954051
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane?
The IUPAC name of 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane (CID 155702508) is 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane is CC(C)N1CCC(CN2CCOC3(CC2)CCN(C(C)C)CC3)CC1.
What is the InChIKey of 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane?
The InChIKey is TULOWEUSFNXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O/c1-18(2)23-10-5-20(6-11-23)17-22-12-7-21(25-16-15-22)8-13-24(14-9-21)19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane?
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane has a molecular weight of 351.58 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 155702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).