(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine

C25H32N6O2 — CID 177314119

IUPAC(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
SMILESCO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1
InChIInChI=1S/C25H32N6O2/c1-32-23-12-9-18-14-20(6-5-19(18)15-23)24(28-33-2)21-4-3-13-31(16-21)22-10-7-17(8-11-22)25-26-29-30-27-25/h5-6,9,12,14-15,17,21-22H,3-4,7-8,10-11,13,16H2,1-2H3,(H,26,27,29,30)/b28-24-
InChIKeySCXRXBAVQSNGQI-COOPMVRXSA-N
MW448.57 g/mol
LogP4.15
Rot. Bonds6

About (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine

(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine (PubChem CID 177314119) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
PubChem CID177314119
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
SMILESCO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1
InChIInChI=1S/C25H32N6O2/c1-32-23-12-9-18-14-20(6-5-19(18)15-23)24(28-33-2)21-4-3-13-31(16-21)22-10-7-17(8-11-22)25-26-29-30-27-25/h5-6,9,12,14-15,17,21-22H,3-4,7-8,10-11,13,16H2,1-2H3,(H,26,27,29,30)/b28-24-
InChIKeySCXRXBAVQSNGQI-COOPMVRXSA-N
XLogP4.15
TPSA88.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The IUPAC name of (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine (CID 177314119) is (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine is CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1.
What is the InChIKey of (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The InChIKey is SCXRXBAVQSNGQI-COOPMVRXSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-32-23-12-9-18-14-20(6-5-19(18)15-23)24(28-33-2)21-4-3-13-31(16-21)22-10-7-17(8-11-22)25-26-29-30-27-25/h5-6,9,12,14-15,17,21-22H,3-4,7-8,10-11,13,16H2,1-2H3,(H,26,27,29,30)/b28-24-.
What are the key properties of (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine has a molecular weight of 448.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine is sourced from PubChem (CID 177314119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).