(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine

C23H30N2O2 — CID 172914172

IUPAC(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
SMILESCO/N=C(/c1ccc2cc(OC)ccc2c1)[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H30N2O2/c1-26-22-12-11-17-14-19(10-9-18(17)15-22)23(24-27-2)20-6-5-13-25(16-20)21-7-3-4-8-21/h9-12,14-15,20-21H,3-8,13,16H2,1-2H3/b24-23-/t20-/m1/s1
InChIKeyOOQFGLNLHKAAOI-LRVSTDGRSA-N
MW366.51 g/mol
LogP4.85
Rot. Bonds5

About (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine

(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine (PubChem CID 172914172) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
PubChem CID172914172
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
SMILESCO/N=C(/c1ccc2cc(OC)ccc2c1)[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H30N2O2/c1-26-22-12-11-17-14-19(10-9-18(17)15-22)23(24-27-2)20-6-5-13-25(16-20)21-7-3-4-8-21/h9-12,14-15,20-21H,3-8,13,16H2,1-2H3/b24-23-/t20-/m1/s1
InChIKeyOOQFGLNLHKAAOI-LRVSTDGRSA-N
XLogP4.85
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-4-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314128
[3-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexyl]urea
CID 177313885
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine
CID 177313974
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
CID 177314075
N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
CID 177313970
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine?
The IUPAC name of (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine (CID 172914172) is (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine.
What is the SMILES notation for (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine?
The canonical SMILES for (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine is CO/N=C(/c1ccc2cc(OC)ccc2c1)[C@@H]1CCCN(C2CCCC2)C1.
What is the InChIKey of (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine?
The InChIKey is OOQFGLNLHKAAOI-LRVSTDGRSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-26-22-12-11-17-14-19(10-9-18(17)15-22)23(24-27-2)20-6-5-13-25(16-20)21-7-3-4-8-21/h9-12,14-15,20-21H,3-8,13,16H2,1-2H3/b24-23-/t20-/m1/s1.
What are the key properties of (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine?
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine has a molecular weight of 366.51 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine is sourced from PubChem (CID 172914172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).