4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol

C24H33N3O3 — CID 177314051

IUPAC4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCOC/N=C(/c1ccc2nc(OC)ccc2c1)C1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C24H33N3O3/c1-29-16-25-24(18-5-11-22-17(14-18)6-12-23(26-22)30-2)19-4-3-13-27(15-19)20-7-9-21(28)10-8-20/h5-6,11-12,14,19-21,28H,3-4,7-10,13,15-16H2,1-2H3/b25-24-
InChIKeyUJFUFAYNFQKUIC-IZHYLOQSSA-N
MW411.55 g/mol
LogP3.65
Rot. Bonds6

About 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol

4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 177314051) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID177314051
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCOC/N=C(/c1ccc2nc(OC)ccc2c1)C1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C24H33N3O3/c1-29-16-25-24(18-5-11-22-17(14-18)6-12-23(26-22)30-2)19-4-3-13-27(15-19)20-7-9-21(28)10-8-20/h5-6,11-12,14,19-21,28H,3-4,7-10,13,15-16H2,1-2H3/b25-24-
InChIKeyUJFUFAYNFQKUIC-IZHYLOQSSA-N
XLogP3.65
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

einsteinium;4-[3-[(E)-N-hydroxy-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177313902
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-4-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314128
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methoxyquinolin-6-yl)methanone
CID 171943100
(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
ethane;4-[3-[6-(trifluoromethoxy)naphthalene-2-carboximidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177313998
benzyl 3-(2-methoxyquinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171943099
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol (CID 177314051) is 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol is COC/N=C(/c1ccc2nc(OC)ccc2c1)C1CCCN(C2CCC(O)CC2)C1.
What is the InChIKey of 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is UJFUFAYNFQKUIC-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-16-25-24(18-5-11-22-17(14-18)6-12-23(26-22)30-2)19-4-3-13-27(15-19)20-7-9-21(28)10-8-20/h5-6,11-12,14,19-21,28H,3-4,7-10,13,15-16H2,1-2H3/b25-24-.
What are the key properties of 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol?
4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 411.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 177314051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).