N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide

C15H25N5O3 — CID 53185575

IUPACN-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C15H25N5O3/c1-22-11-3-6-18-15(21)20-9-4-12(5-10-20)19-13-14(23-2)17-8-7-16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyVMHUYLDIKRXHFW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.11
Rot. Bonds7

About N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide

N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 53185575) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
PubChem CID53185575
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C15H25N5O3/c1-22-11-3-6-18-15(21)20-9-4-12(5-10-20)19-13-14(23-2)17-8-7-16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyVMHUYLDIKRXHFW-UHFFFAOYSA-N
XLogP1.11
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (CID 53185575) is N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is COCCCNC(=O)N1CCC(Nc2nccnc2OC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is VMHUYLDIKRXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-22-11-3-6-18-15(21)20-9-4-12(5-10-20)19-13-14(23-2)17-8-7-16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,19)(H,18,21).
What are the key properties of N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 53185575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).