[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate

C10H19N3O4 — CID 67829642

IUPAC[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
SMILESO=C(CCCCO[N+](=O)[O-])NN1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-10(6-2-5-9-17-13(15)16)11-12-7-3-1-4-8-12/h1-9H2,(H,11,14)
InChIKeyCWXRPOWLSFWPSN-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.88
Rot. Bonds7

About [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate

[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate (PubChem CID 67829642) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate.

Molecular Properties

Compound Name[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
PubChem CID67829642
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
SMILESO=C(CCCCO[N+](=O)[O-])NN1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-10(6-2-5-9-17-13(15)16)11-12-7-3-1-4-8-12/h1-9H2,(H,11,14)
InChIKeyCWXRPOWLSFWPSN-UHFFFAOYSA-N
XLogP0.88
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azepan-1-yl)butanamide
CID 67379865
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
6-nitrooxyhexanoic acid;hydrochloride
CID 175070596
methane;11-nitrooxyundecanoic acid
CID 173491746
3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate
CID 10958423
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
[5-[(3-amino-2,2-dimethylpropyl)amino]-5-oxopentyl] nitrate
CID 14799036
[6-(3-methylbutylamino)-6-oxohexyl] nitrate
CID 134467256
ethane;9-nitrooxynonanoic acid
CID 173056484
ethane;8-nitrooxyoctanoic acid
CID 173056410
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276

Frequently Asked Questions

What is the IUPAC name of [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate?
The IUPAC name of [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate (CID 67829642) is [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate.
What is the SMILES notation for [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate?
The canonical SMILES for [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate is O=C(CCCCO[N+](=O)[O-])NN1CCCCC1.
What is the InChIKey of [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate?
The InChIKey is CWXRPOWLSFWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-10(6-2-5-9-17-13(15)16)11-12-7-3-1-4-8-12/h1-9H2,(H,11,14).
What are the key properties of [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate?
[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate has a molecular weight of 245.28 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate is sourced from PubChem (CID 67829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).