[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate

C23H30N4O4 — CID 91495196

IUPAC[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC2CCCCN2N=Cc2ccccn2)cc1OCC(C)C
InChIInChI=1S/C23H30N4O4/c1-17(2)16-30-21-14-18(10-11-20(21)29-3)26-23(28)31-22-9-5-7-13-27(22)25-15-19-8-4-6-12-24-19/h4,6,8,10-12,14-15,17,22H,5,7,9,13,16H2,1-3H3,(H,26,28)
InChIKeyITEMIQGSRACIPW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.52
Rot. Bonds8

About [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate

[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate (PubChem CID 91495196) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
PubChem CID91495196
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC2CCCCN2N=Cc2ccccn2)cc1OCC(C)C
InChIInChI=1S/C23H30N4O4/c1-17(2)16-30-21-14-18(10-11-20(21)29-3)26-23(28)31-22-9-5-7-13-27(22)25-15-19-8-4-6-12-24-19/h4,6,8,10-12,14-15,17,22H,5,7,9,13,16H2,1-3H3,(H,26,28)
InChIKeyITEMIQGSRACIPW-UHFFFAOYSA-N
XLogP4.52
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[[4-methoxy-3-(2-methylpropoxy)phenyl]carbamoyloxy]piperidin-1-yl]iminomethyl]benzoate
CID 91465128
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 40586803
N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 110194180
1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10027240
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 767221
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 110194147
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
(3S)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide
CID 6968850
(E)-but-2-enedioic acid;1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-3-carboxamide
CID 17387395

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate?
The IUPAC name of [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate (CID 91495196) is [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate.
What is the SMILES notation for [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate?
The canonical SMILES for [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate is COc1ccc(NC(=O)OC2CCCCN2N=Cc2ccccn2)cc1OCC(C)C.
What is the InChIKey of [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate?
The InChIKey is ITEMIQGSRACIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(2)16-30-21-14-18(10-11-20(21)29-3)26-23(28)31-22-9-5-7-13-27(22)25-15-19-8-4-6-12-24-19/h4,6,8,10-12,14-15,17,22H,5,7,9,13,16H2,1-3H3,(H,26,28).
What are the key properties of [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate?
[1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-2-ylmethylideneamino)piperidin-2-yl] N-[4-methoxy-3-(2-methylpropoxy)phenyl]carbamate is sourced from PubChem (CID 91495196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).