cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate

C26H38N4O5 — CID 123741652

IUPACcyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate
SMILESCC(C)=COC(C)ONC(=O)C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CCNCC2)nc1
InChIInChI=1S/C26H38N4O5/c1-19(2)18-33-20(3)35-30-24(31)11-9-21-8-10-22(28-16-21)17-29-26(12-14-27-15-13-26)25(32)34-23-6-4-5-7-23/h8-11,16,18,20,23,27,29H,4-7,12-15,17H2,1-3H3,(H,30,31)
InChIKeyIYDALYZCYRTKCV-UHFFFAOYSA-N
MW486.61 g/mol
LogP3.13
Rot. Bonds11

About cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate

cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate (PubChem CID 123741652) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate
PubChem CID123741652
Molecular FormulaC26H38N4O5
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Namecyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate
SMILESCC(C)=COC(C)ONC(=O)C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CCNCC2)nc1
InChIInChI=1S/C26H38N4O5/c1-19(2)18-33-20(3)35-30-24(31)11-9-21-8-10-22(28-16-21)17-29-26(12-14-27-15-13-26)25(32)34-23-6-4-5-7-23/h8-11,16,18,20,23,27,29H,4-7,12-15,17H2,1-3H3,(H,30,31)
InChIKeyIYDALYZCYRTKCV-UHFFFAOYSA-N
XLogP3.13
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyridin-3-yl]methylamino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 88531348
cyclopentyl 1-[[6-[(E)-3-oxo-3-[(2,2,2-trifluoroacetyl)oxyamino]prop-1-enyl]-3-pyridinyl]methylamino]cyclopentane-1-carboxylate
CID 88531349
(3-methylcyclopentyl) 2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 88531481
Cyclopentyl 1-[[6-[3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 173378502
cyclopentyl (2S)-2-cyclohexyl-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]acetate
CID 25060254
cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate
CID 25060255
cyclopentyl (2S)-2-cyclohexyl-2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]acetate
CID 25060258
tert-butyl (2S)-2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]-4-methylpentanoate
CID 25060259
Cyclopentyl 1-[({6-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]pyridin-3-yl}methyl)amino]cyclobutanecarboxylate
CID 46864302
(3-methylcyclopentyl) 2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-2-methylpropanoate
CID 46891980
cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclohexane-1-carboxylate
CID 46892111
cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate
CID 56837164

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate?
The IUPAC name of cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate (CID 123741652) is cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate.
What is the SMILES notation for cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate?
The canonical SMILES for cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate is CC(C)=COC(C)ONC(=O)C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CCNCC2)nc1.
What is the InChIKey of cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate?
The InChIKey is IYDALYZCYRTKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-19(2)18-33-20(3)35-30-24(31)11-9-21-8-10-22(28-16-21)17-29-26(12-14-27-15-13-26)25(32)34-23-6-4-5-7-23/h8-11,16,18,20,23,27,29H,4-7,12-15,17H2,1-3H3,(H,30,31).
What are the key properties of cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate?
cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 3.13, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[[5-[3-[1-(2-methylprop-1-enoxy)ethoxyamino]-3-oxoprop-1-enyl]-2-pyridinyl]methylamino]piperidine-4-carboxylate is sourced from PubChem (CID 123741652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).