N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C15H25N5O2 — CID 33387368

IUPACN-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H25N5O2/c1-13(2)22-11-3-4-18-15(21)20-9-7-19(8-10-20)14-12-16-5-6-17-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,21)
InChIKeyOSPAHVLRGVDJBY-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.12
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 33387368) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID33387368
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H25N5O2/c1-13(2)22-11-3-4-18-15(21)20-9-7-19(8-10-20)14-12-16-5-6-17-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,21)
InChIKeyOSPAHVLRGVDJBY-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 33387368) is N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is CC(C)OCCCNC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is OSPAHVLRGVDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(2)22-11-3-4-18-15(21)20-9-7-19(8-10-20)14-12-16-5-6-17-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 33387368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).