N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide

C13H25N3O2 — CID 62760131

IUPACN-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1CCCOC1
InChIInChI=1S/C13H25N3O2/c17-13(12-3-1-10-18-11-12)15-4-2-7-16-8-5-14-6-9-16/h12,14H,1-11H2,(H,15,17)
InChIKeyWNHWJRCGEPDQFX-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.18
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide

N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide (PubChem CID 62760131) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
PubChem CID62760131
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1CCCOC1
InChIInChI=1S/C13H25N3O2/c17-13(12-3-1-10-18-11-12)15-4-2-7-16-8-5-14-6-9-16/h12,14H,1-11H2,(H,15,17)
InChIKeyWNHWJRCGEPDQFX-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide (CID 62760131) is N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide is O=C(NCCCN1CCNCC1)C1CCCOC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide?
The InChIKey is WNHWJRCGEPDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-13(12-3-1-10-18-11-12)15-4-2-7-16-8-5-14-6-9-16/h12,14H,1-11H2,(H,15,17).
What are the key properties of N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide?
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 62760131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).