cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate

C25H36N4O5 — CID 56837164

IUPACcyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate
SMILESO=C(/C=C/c1ccc(CN2CCC(NC3(C(=O)OC4CCCC4)CCOCC3)CC2)cn1)NO
InChIInChI=1S/C25H36N4O5/c30-23(28-32)8-7-20-6-5-19(17-26-20)18-29-13-9-21(10-14-29)27-25(11-15-33-16-12-25)24(31)34-22-3-1-2-4-22/h5-8,17,21-22,27,32H,1-4,9-16,18H2,(H,28,30)/b8-7+
InChIKeyIXBPMHRCUWLPIV-BQYQJAHWSA-N
MW472.59 g/mol
LogP2.19
Rot. Bonds8

About cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate

cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate (PubChem CID 56837164) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate
PubChem CID56837164
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC Namecyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate
SMILESO=C(/C=C/c1ccc(CN2CCC(NC3(C(=O)OC4CCCC4)CCOCC3)CC2)cn1)NO
InChIInChI=1S/C25H36N4O5/c30-23(28-32)8-7-20-6-5-19(17-26-20)18-29-13-9-21(10-14-29)27-25(11-15-33-16-12-25)24(31)34-22-3-1-2-4-22/h5-8,17,21-22,27,32H,1-4,9-16,18H2,(H,28,30)/b8-7+
InChIKeyIXBPMHRCUWLPIV-BQYQJAHWSA-N
XLogP2.19
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate?
The IUPAC name of cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate (CID 56837164) is cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate.
What is the SMILES notation for cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate?
The canonical SMILES for cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate is O=C(/C=C/c1ccc(CN2CCC(NC3(C(=O)OC4CCCC4)CCOCC3)CC2)cn1)NO.
What is the InChIKey of cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate?
The InChIKey is IXBPMHRCUWLPIV-BQYQJAHWSA-N. The full InChI is InChI=1S/C25H36N4O5/c30-23(28-32)8-7-20-6-5-19(17-26-20)18-29-13-9-21(10-14-29)27-25(11-15-33-16-12-25)24(31)34-22-3-1-2-4-22/h5-8,17,21-22,27,32H,1-4,9-16,18H2,(H,28,30)/b8-7+.
What are the key properties of cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate?
cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[[1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methyl]piperidin-4-yl]amino]oxane-4-carboxylate is sourced from PubChem (CID 56837164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).