3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate

C15H28N4O4 — CID 10958423

IUPAC3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate
SMILESO=C(CCN1CCCCC1)N1CCN(CCCO[N+](=O)[O-])CC1
InChIInChI=1S/C15H28N4O4/c20-15(5-9-16-6-2-1-3-7-16)18-12-10-17(11-13-18)8-4-14-23-19(21)22/h1-14H2
InChIKeyBOZIGSMQVLFVJZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.61
Rot. Bonds8

About 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate

3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate (PubChem CID 10958423) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate.

Molecular Properties

Compound Name3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate
PubChem CID10958423
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate
SMILESO=C(CCN1CCCCC1)N1CCN(CCCO[N+](=O)[O-])CC1
InChIInChI=1S/C15H28N4O4/c20-15(5-9-16-6-2-1-3-7-16)18-12-10-17(11-13-18)8-4-14-23-19(21)22/h1-14H2
InChIKeyBOZIGSMQVLFVJZ-UHFFFAOYSA-N
XLogP0.61
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
5-[4-(3-nitrooxypropyl)piperazin-1-yl]-2-oxopentanoic acid
CID 69107285
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
2-(4-acetylpiperazin-1-yl)ethyl nitrate
CID 123616419
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
CID 67829642
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
2-(azepan-1-yl)-1-[4-(2-propoxyethyl)piperazin-1-yl]ethanone
CID 131910093

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate?
The IUPAC name of 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate (CID 10958423) is 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate.
What is the SMILES notation for 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate?
The canonical SMILES for 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate is O=C(CCN1CCCCC1)N1CCN(CCCO[N+](=O)[O-])CC1.
What is the InChIKey of 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate?
The InChIKey is BOZIGSMQVLFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c20-15(5-9-16-6-2-1-3-7-16)18-12-10-17(11-13-18)8-4-14-23-19(21)22/h1-14H2.
What are the key properties of 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate?
3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate has a molecular weight of 328.41 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propyl nitrate is sourced from PubChem (CID 10958423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).