N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

C17H24N4O — CID 155032495

IUPACN-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESCCNc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2
InChIInChI=1S/C17H24N4O/c1-2-18-13-11-14-16-15(12-13)22-10-6-9-21(16)17(19-14)20-7-4-3-5-8-20/h11-12,18H,2-10H2,1H3
InChIKeyOQNWMOSBPQUUQS-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.24
Rot. Bonds3

About N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (PubChem CID 155032495) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.

Molecular Properties

Compound NameN-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
PubChem CID155032495
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESCCNc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2
InChIInChI=1S/C17H24N4O/c1-2-18-13-11-14-16-15(12-13)22-10-6-9-21(16)17(19-14)20-7-4-3-5-8-20/h11-12,18H,2-10H2,1H3
InChIKeyOQNWMOSBPQUUQS-UHFFFAOYSA-N
XLogP3.24
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The IUPAC name of N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (CID 155032495) is N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.
What is the SMILES notation for N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The canonical SMILES for N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is CCNc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2.
What is the InChIKey of N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The InChIKey is OQNWMOSBPQUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-18-13-11-14-16-15(12-13)22-10-6-9-21(16)17(19-14)20-7-4-3-5-8-20/h11-12,18H,2-10H2,1H3.
What are the key properties of N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine has a molecular weight of 300.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is sourced from PubChem (CID 155032495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).