N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

C17H27N5O3 — CID 87356117

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCCCC2)nc1)NO
InChIInChI=1S/C17H27N5O3/c23-15(21-25)8-4-1-2-5-9-18-16(24)14-12-19-17(20-13-14)22-10-6-3-7-11-22/h12-13,25H,1-11H2,(H,18,24)(H,21,23)
InChIKeyXUMQBUQSEYWIDW-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.65
Rot. Bonds9

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 87356117) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID87356117
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCCCC2)nc1)NO
InChIInChI=1S/C17H27N5O3/c23-15(21-25)8-4-1-2-5-9-18-16(24)14-12-19-17(20-13-14)22-10-6-3-7-11-22/h12-13,25H,1-11H2,(H,18,24)(H,21,23)
InChIKeyXUMQBUQSEYWIDW-UHFFFAOYSA-N
XLogP1.65
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 87356117) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(N2CCCCC2)nc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is XUMQBUQSEYWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c23-15(21-25)8-4-1-2-5-9-18-16(24)14-12-19-17(20-13-14)22-10-6-3-7-11-22/h12-13,25H,1-11H2,(H,18,24)(H,21,23).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 87356117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).