7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one

C14H28N4O2 — CID 163598649

IUPAC7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one
SMILESCC(CO)CN1CCNCCN2CCN(CC1)C(=O)C2
InChIInChI=1S/C14H28N4O2/c1-13(12-19)10-16-4-2-15-3-5-17-7-9-18(8-6-16)14(20)11-17/h13,15,19H,2-12H2,1H3
InChIKeyGVRUHKHGHJQMSM-UHFFFAOYSA-N
MW284.40 g/mol
LogP-1.34
Rot. Bonds3

About 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one

7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one (PubChem CID 163598649) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one.

Molecular Properties

Compound Name7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one
PubChem CID163598649
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one
SMILESCC(CO)CN1CCNCCN2CCN(CC1)C(=O)C2
InChIInChI=1S/C14H28N4O2/c1-13(12-19)10-16-4-2-15-3-5-17-7-9-18(8-6-16)14(20)11-17/h13,15,19H,2-12H2,1H3
InChIKeyGVRUHKHGHJQMSM-UHFFFAOYSA-N
XLogP-1.34
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2889900
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CID 106176651
N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide
CID 106176935
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114154234
N-{[1-(hydroxymethyl)cyclopropyl]methyl}-N-methyl-2-piperazin-1-ylacetamide
CID 56868111
N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide
CID 10398939
2-(dimethylamino)-N-(3-hydroxypropyl)acetamide
CID 19816298
1-(1-Hydroxy-2-methylpropyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 20392811
4-(3-Hydroxypropyl)piperazin-2-one
CID 21082702
N'-(3-hydroxypropyl)-N-propyloxamide
CID 21212883
1-(1-Hydroxypropyl)piperazin-2-one
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1-(1-Hydroxypropyl)-6-methylpiperazin-2-one
CID 21270401

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one?
The IUPAC name of 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one (CID 163598649) is 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one.
What is the SMILES notation for 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one?
The canonical SMILES for 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one is CC(CO)CN1CCNCCN2CCN(CC1)C(=O)C2.
What is the InChIKey of 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one?
The InChIKey is GVRUHKHGHJQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-13(12-19)10-16-4-2-15-3-5-17-7-9-18(8-6-16)14(20)11-17/h13,15,19H,2-12H2,1H3.
What are the key properties of 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one?
7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one has a molecular weight of 284.40 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one is sourced from PubChem (CID 163598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).